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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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/Can_free-7788f007/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Can_free-7788f007/inputs/seq.fa: 1
curr_seq: _UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGUUCGCAACCAUCCCACAUAAAAAAACUAG
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 34 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: 175
n_atoms_counter: 175
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 34.000000 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: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -127.399570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.399570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.399570 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -126.183283
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -195.616767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.616767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.616767 (E_RNA)
where:
Base-Base interactions energy: -84.720
where: short stacking energy: -75.761
Base-Backbone interact. energy: -0.197
local terms energy: -110.700222
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -186.011205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.011205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.011205 (E_RNA)
where:
Base-Base interactions energy: -79.331
where: short stacking energy: -77.354
Base-Backbone interact. energy: -0.061
local terms energy: -106.618985
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -182.601333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.601333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.601333 (E_RNA)
where:
Base-Base interactions energy: -77.253
where: short stacking energy: -76.943
Base-Backbone interact. energy: -0.223
local terms energy: -105.126141
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -19.593
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -168.768019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.768019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.768019 (E_RNA)
where:
Base-Base interactions energy: -79.863
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.189
local terms energy: -88.715935
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -8.636
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -153.915298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.915298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.915298 (E_RNA)
where:
Base-Base interactions energy: -66.453
where: short stacking energy: -65.396
Base-Backbone interact. energy: -0.060
local terms energy: -87.402404
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -166.190927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.190927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.190927 (E_RNA)
where:
Base-Base interactions energy: -68.624
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.104
local terms energy: -97.462267
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -21.039
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -135.124510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.124510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.124510 (E_RNA)
where:
Base-Base interactions energy: -57.406
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.095
local terms energy: -77.623253
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -1.634
tors. eta vs tors. theta energy: -11.329
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: 2
Temperature: 1.250000
Total energy: -128.073023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.073023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.073023 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -39.386
Base-Backbone interact. energy: -1.290
local terms energy: -79.657836
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -126.826316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.826316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.826316 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -125.610028
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -126.826316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.826316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.826316 (E_RNA)
where:
Base-Base interactions energy: -1.216
where: short stacking energy: -1.216
Base-Backbone interact. energy: -0.000
local terms energy: -125.610028
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -8.485
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -205.644954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.644954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.644954 (E_RNA)
where:
Base-Base interactions energy: -92.580
where: short stacking energy: -92.412
Base-Backbone interact. energy: -0.076
local terms energy: -112.988378
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -25.534
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -224.851218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.851218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.851218 (E_RNA)
where:
Base-Base interactions energy: -124.364
where: short stacking energy: -62.598
Base-Backbone interact. energy: -1.815
local terms energy: -98.672457
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: -9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -193.454889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.454889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.454889 (E_RNA)
where:
Base-Base interactions energy: -81.242
where: short stacking energy: -81.242
Base-Backbone interact. energy: 3.671
local terms energy: -115.883597
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -27.012
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -154.853410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.853410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.853410 (E_RNA)
where:
Base-Base interactions energy: -71.469
where: short stacking energy: -64.759
Base-Backbone interact. energy: -0.196
local terms energy: -83.188805
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -156.539826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.539826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.539826 (E_RNA)
where:
Base-Base interactions energy: -59.987
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.361
local terms energy: -96.191856
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -170.298746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.298746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.298746 (E_RNA)
where:
Base-Base interactions energy: -101.858
where: short stacking energy: -48.928
Base-Backbone interact. energy: -0.132
local terms energy: -68.308904
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -14.177
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -120.412027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.412027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.412027 (E_RNA)
where:
Base-Base interactions energy: -38.801
where: short stacking energy: -37.493
Base-Backbone interact. energy: -0.128
local terms energy: -81.483305
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -123.918452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.918452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.918452 (E_RNA)
where:
Base-Base interactions energy: -56.657
where: short stacking energy: -44.935
Base-Backbone interact. energy: -0.162
local terms energy: -67.099774
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -0.581
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -131.583235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.583235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.583235 (E_RNA)
where:
Base-Base interactions energy: -48.468
where: short stacking energy: -37.950
Base-Backbone interact. energy: -0.279
local terms energy: -82.835351
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -100.770307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.770307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.770307 (E_RNA)
where:
Base-Base interactions energy: -25.733
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.827
local terms energy: -74.209777
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: 0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -265.546757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.546757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.546757 (E_RNA)
where:
Base-Base interactions energy: -170.888
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.368
local terms energy: -94.290467
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -18.307
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -192.850954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.850954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.850954 (E_RNA)
where:
Base-Base interactions energy: -87.075
where: short stacking energy: -78.267
Base-Backbone interact. energy: 0.175
local terms energy: -105.951682
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -181.153113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.153113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.153113 (E_RNA)
where:
Base-Base interactions energy: -80.817
where: short stacking energy: -68.061
Base-Backbone interact. energy: 0.238
local terms energy: -100.573979
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -24.142
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -12.311
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: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -175.744371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.744371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.744371 (E_RNA)
where:
Base-Base interactions energy: -90.505
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.231
local terms energy: -85.007926
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -215.696284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.696284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.696284 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -73.074
Base-Backbone interact. energy: -0.309
local terms energy: -85.612500
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -134.114324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.114324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.114324 (E_RNA)
where:
Base-Base interactions energy: -44.550
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.362
local terms energy: -89.202525
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -8.094
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -186.146766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.146766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.146766 (E_RNA)
where:
Base-Base interactions energy: -100.596
where: short stacking energy: -47.189
Base-Backbone interact. energy: -0.250
local terms energy: -85.301418
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -8.067
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -121.637572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.637572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.637572 (E_RNA)
where:
Base-Base interactions energy: -43.114
where: short stacking energy: -37.029
Base-Backbone interact. energy: 1.079
local terms energy: -79.602382
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -4.340
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: 4
Temperature: 1.300000
Total energy: -108.121340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.121340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.121340 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.054
local terms energy: -72.666938
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -0.873
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: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -104.701740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.701740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.701740 (E_RNA)
where:
Base-Base interactions energy: -37.695
where: short stacking energy: -35.144
Base-Backbone interact. energy: 1.769
local terms energy: -68.775607
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -10.245
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: 5
Temperature: 0.900000
Total energy: -279.175377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.175377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.175377 (E_RNA)
where:
Base-Base interactions energy: -180.454
where: short stacking energy: -84.825
Base-Backbone interact. energy: -0.770
local terms energy: -97.951427
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -14.330
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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -194.467850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.467850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.467850 (E_RNA)
where:
Base-Base interactions energy: -91.188
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.056
local terms energy: -103.224380
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -207.519887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.519887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.519887 (E_RNA)
where:
Base-Base interactions energy: -113.015
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.120
local terms energy: -94.384788
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -9.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -219.132058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.132058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.132058 (E_RNA)
where:
Base-Base interactions energy: -119.579
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.036
local terms energy: -99.517076
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -11.593
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: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -185.765076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.765076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.765076 (E_RNA)
where:
Base-Base interactions energy: -86.054
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.940
local terms energy: -98.770702
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -24.176
flat angles P-C4'-P energy: -15.727
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -237.364607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.364607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.364607 (E_RNA)
where:
Base-Base interactions energy: -147.333
where: short stacking energy: -65.712
Base-Backbone interact. energy: -0.475
local terms energy: -89.556353
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -128.041325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.041325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.041325 (E_RNA)
where:
Base-Base interactions energy: -49.139
where: short stacking energy: -32.808
Base-Backbone interact. energy: -0.377
local terms energy: -78.525927
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -0.640
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: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -118.971123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.971123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.971123 (E_RNA)
where:
Base-Base interactions energy: -50.346
where: short stacking energy: -38.795
Base-Backbone interact. energy: -0.279
local terms energy: -68.345956
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -2.248
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: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -125.405997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.405997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.405997 (E_RNA)
where:
Base-Base interactions energy: -55.445
where: short stacking energy: -35.057
Base-Backbone interact. energy: 1.496
local terms energy: -71.456542
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -114.036934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.036934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.036934 (E_RNA)
where:
Base-Base interactions energy: -43.634
where: short stacking energy: -25.272
Base-Backbone interact. energy: -0.246
local terms energy: -70.157717
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -11.518
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: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -299.695052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.695052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.695052 (E_RNA)
where:
Base-Base interactions energy: -190.256
where: short stacking energy: -79.983
Base-Backbone interact. energy: -0.444
local terms energy: -108.995614
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -17.605
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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -198.714779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.714779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.714779 (E_RNA)
where:
Base-Base interactions energy: -93.875
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.485
local terms energy: -104.354120
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -12.063
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: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -221.030926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.030926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.030926 (E_RNA)
where:
Base-Base interactions energy: -121.627
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.466
local terms energy: -98.937572
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -9.201
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: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -213.015975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.015975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.015975 (E_RNA)
where:
Base-Base interactions energy: -116.165
where: short stacking energy: -67.699
Base-Backbone interact. energy: 1.249
local terms energy: -98.100145
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -15.634
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: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -242.486324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.486324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.486324 (E_RNA)
where:
Base-Base interactions energy: -151.774
where: short stacking energy: -59.741
Base-Backbone interact. energy: 0.176
local terms energy: -90.888281
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -185.426720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.426720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.426720 (E_RNA)
where:
Base-Base interactions energy: -96.807
where: short stacking energy: -59.309
Base-Backbone interact. energy: -0.191
local terms energy: -88.429394
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.111
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: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -131.274741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.274741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.274741 (E_RNA)
where:
Base-Base interactions energy: -51.713
where: short stacking energy: -39.625
Base-Backbone interact. energy: -0.109
local terms energy: -79.452049
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -131.312596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.312596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.312596 (E_RNA)
where:
Base-Base interactions energy: -60.223
where: short stacking energy: -48.641
Base-Backbone interact. energy: 1.152
local terms energy: -72.242048
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -26.616
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -1.714
tors. eta vs tors. theta energy: -3.541
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -115.156335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.156335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.156335 (E_RNA)
where:
Base-Base interactions energy: -62.515
where: short stacking energy: -40.579
Base-Backbone interact. energy: -0.760
local terms energy: -51.881480
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -11.528
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: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -118.276125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.276125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.276125 (E_RNA)
where:
Base-Base interactions energy: -30.501
where: short stacking energy: -30.388
Base-Backbone interact. energy: 0.569
local terms energy: -88.343773
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -298.098555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.098555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.098555 (E_RNA)
where:
Base-Base interactions energy: -194.158
where: short stacking energy: -91.097
Base-Backbone interact. energy: 0.708
local terms energy: -104.648635
where:
bonds (distance) C4'-P energy: -25.137
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -252.352849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.352849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.352849 (E_RNA)
where:
Base-Base interactions energy: -146.942
where: short stacking energy: -76.635
Base-Backbone interact. energy: -0.452
local terms energy: -104.958487
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -14.794
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -216.056350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.056350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.056350 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -80.783
Base-Backbone interact. energy: -0.272
local terms energy: -85.696407
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -11.044
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: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -269.638830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.638830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.638830 (E_RNA)
where:
Base-Base interactions energy: -172.714
where: short stacking energy: -80.917
Base-Backbone interact. energy: -1.040
local terms energy: -95.885199
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -11.665
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: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -201.361753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.361753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.361753 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -66.481
Base-Backbone interact. energy: -0.466
local terms energy: -81.161687
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -4.121
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: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -145.780451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.780451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.780451 (E_RNA)
where:
Base-Base interactions energy: -55.184
where: short stacking energy: -52.719
Base-Backbone interact. energy: -0.274
local terms energy: -90.322485
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -195.706315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.706315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.706315 (E_RNA)
where:
Base-Base interactions energy: -112.976
where: short stacking energy: -59.214
Base-Backbone interact. energy: 0.036
local terms energy: -82.766773
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -14.648
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: 4
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -133.052450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.052450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.052450 (E_RNA)
where:
Base-Base interactions energy: -57.902
where: short stacking energy: -35.089
Base-Backbone interact. energy: -0.200
local terms energy: -74.950536
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -5.944
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: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -118.482358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.482358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.482358 (E_RNA)
where:
Base-Base interactions energy: -41.598
where: short stacking energy: -26.961
Base-Backbone interact. energy: -0.963
local terms energy: -75.921423
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -3.474
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: 7
Temperature: 1.350000
Total energy: -115.678201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.678201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.678201 (E_RNA)
where:
Base-Base interactions energy: -58.491
where: short stacking energy: -37.306
Base-Backbone interact. energy: 0.621
local terms energy: -57.808087
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: 0.617
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: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -304.597224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.597224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.597224 (E_RNA)
where:
Base-Base interactions energy: -191.949
where: short stacking energy: -80.638
Base-Backbone interact. energy: -1.277
local terms energy: -111.371296
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -20.121
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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -243.069300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.069300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.069300 (E_RNA)
where:
Base-Base interactions energy: -144.406
where: short stacking energy: -69.834
Base-Backbone interact. energy: -0.336
local terms energy: -98.327872
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -11.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -305.791631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.791631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.791631 (E_RNA)
where:
Base-Base interactions energy: -196.007
where: short stacking energy: -94.197
Base-Backbone interact. energy: -1.478
local terms energy: -108.306845
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -215.346808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.346808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.346808 (E_RNA)
where:
Base-Base interactions energy: -119.217
where: short stacking energy: -68.744
Base-Backbone interact. energy: -0.205
local terms energy: -95.924899
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -249.713759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.713759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.713759 (E_RNA)
where:
Base-Base interactions energy: -145.084
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.107
local terms energy: -104.523295
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -16.104
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: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -153.248900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.248900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.248900 (E_RNA)
where:
Base-Base interactions energy: -73.167
where: short stacking energy: -60.566
Base-Backbone interact. energy: -0.135
local terms energy: -79.946611
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -12.557
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: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -228.776493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.776493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.776493 (E_RNA)
where:
Base-Base interactions energy: -135.556
where: short stacking energy: -70.065
Base-Backbone interact. energy: 0.410
local terms energy: -93.630416
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -17.347
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: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -113.769302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.769302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.769302 (E_RNA)
where:
Base-Base interactions energy: -47.314
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.478
local terms energy: -65.977758
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: 3.408
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: 8
Temperature: 1.300000
Total energy: -119.574518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.574518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.574518 (E_RNA)
where:
Base-Base interactions energy: -51.245
where: short stacking energy: -36.201
Base-Backbone interact. energy: -0.385
local terms energy: -67.943966
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -2.827
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: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -112.632745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.632745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.632745 (E_RNA)
where:
Base-Base interactions energy: -40.825
where: short stacking energy: -33.431
Base-Backbone interact. energy: -0.860
local terms energy: -70.947474
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -10.059
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: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -313.641413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.641413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.641413 (E_RNA)
where:
Base-Base interactions energy: -214.148
where: short stacking energy: -93.651
Base-Backbone interact. energy: 0.588
local terms energy: -100.081880
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -20.213
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: 9
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -308.918327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.918327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.918327 (E_RNA)
where:
Base-Base interactions energy: -196.784
where: short stacking energy: -97.802
Base-Backbone interact. energy: -0.173
local terms energy: -111.961466
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -24.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -260.310065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.310065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.310065 (E_RNA)
where:
Base-Base interactions energy: -153.494
where: short stacking energy: -84.780
Base-Backbone interact. energy: -0.189
local terms energy: -106.626661
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -264.340106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.340106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.340106 (E_RNA)
where:
Base-Base interactions energy: -165.646
where: short stacking energy: -87.531
Base-Backbone interact. energy: -0.077
local terms energy: -98.616908
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -216.313700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.313700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.313700 (E_RNA)
where:
Base-Base interactions energy: -129.854
where: short stacking energy: -70.502
Base-Backbone interact. energy: 0.923
local terms energy: -87.382564
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -11.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -228.857997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.857997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.857997 (E_RNA)
where:
Base-Base interactions energy: -136.310
where: short stacking energy: -75.729
Base-Backbone interact. energy: -0.027
local terms energy: -92.521262
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -15.542
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: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -127.962981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.962981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.962981 (E_RNA)
where:
Base-Base interactions energy: -41.503
where: short stacking energy: -30.406
Base-Backbone interact. energy: 1.250
local terms energy: -87.709544
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -5.163
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: 9
Temperature: 1.250000
Total energy: -117.713323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.713323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.713323 (E_RNA)
where:
Base-Base interactions energy: -40.496
where: short stacking energy: -40.496
Base-Backbone interact. energy: -0.604
local terms energy: -76.613482
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -16.533
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: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -108.696382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.696382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.696382 (E_RNA)
where:
Base-Base interactions energy: -42.241
where: short stacking energy: -42.279
Base-Backbone interact. energy: 1.546
local terms energy: -68.000954
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -111.770940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.770940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.770940 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -33.432
Base-Backbone interact. energy: 2.120
local terms energy: -79.067902
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -26.015
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -341.976546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.976546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.976546 (E_RNA)
where:
Base-Base interactions energy: -232.845
where: short stacking energy: -109.212
Base-Backbone interact. energy: -0.083
local terms energy: -109.048822
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -25.815
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -305.082998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.082998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.082998 (E_RNA)
where:
Base-Base interactions energy: -197.041
where: short stacking energy: -89.614
Base-Backbone interact. energy: 1.096
local terms energy: -109.138165
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -20.982
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: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -262.819550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.819550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.819550 (E_RNA)
where:
Base-Base interactions energy: -158.035
where: short stacking energy: -76.141
Base-Backbone interact. energy: -0.086
local terms energy: -104.698722
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -270.462824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.462824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.462824 (E_RNA)
where:
Base-Base interactions energy: -165.837
where: short stacking energy: -93.822
Base-Backbone interact. energy: -0.739
local terms energy: -103.886489
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -225.885592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.885592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.885592 (E_RNA)
where:
Base-Base interactions energy: -127.688
where: short stacking energy: -80.908
Base-Backbone interact. energy: -0.494
local terms energy: -97.703283
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -25.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -186.768027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.768027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.768027 (E_RNA)
where:
Base-Base interactions energy: -95.735
where: short stacking energy: -45.992
Base-Backbone interact. energy: 0.048
local terms energy: -91.080702
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -135.433994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.433994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.433994 (E_RNA)
where:
Base-Base interactions energy: -56.267
where: short stacking energy: -45.876
Base-Backbone interact. energy: -0.143
local terms energy: -79.023266
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -165.512273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.512273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.512273 (E_RNA)
where:
Base-Base interactions energy: -86.826
where: short stacking energy: -54.592
Base-Backbone interact. energy: -0.739
local terms energy: -77.947526
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -122.993736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.993736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.993736 (E_RNA)
where:
Base-Base interactions energy: -61.700
where: short stacking energy: -34.708
Base-Backbone interact. energy: 0.582
local terms energy: -61.876026
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -13.609
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: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -104.550380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.550380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.550380 (E_RNA)
where:
Base-Base interactions energy: -30.197
where: short stacking energy: -13.428
Base-Backbone interact. energy: -1.424
local terms energy: -72.928668
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: 6.173
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: 9
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -349.684133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.684133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.684133 (E_RNA)
where:
Base-Base interactions energy: -238.940
where: short stacking energy: -105.792
Base-Backbone interact. energy: -0.100
local terms energy: -110.644548
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -27.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -301.500307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.500307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.500307 (E_RNA)
where:
Base-Base interactions energy: -196.356
where: short stacking energy: -84.859
Base-Backbone interact. energy: -0.058
local terms energy: -105.085452
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -24.518
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -265.038718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.038718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.038718 (E_RNA)
where:
Base-Base interactions energy: -166.853
where: short stacking energy: -81.971
Base-Backbone interact. energy: -1.078
local terms energy: -97.107512
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -260.443634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.443634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.443634 (E_RNA)
where:
Base-Base interactions energy: -160.143
where: short stacking energy: -83.308
Base-Backbone interact. energy: -0.005
local terms energy: -100.294962
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -255.988086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.988086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.988086 (E_RNA)
where:
Base-Base interactions energy: -153.883
where: short stacking energy: -81.475
Base-Backbone interact. energy: -0.109
local terms energy: -101.996362
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -26.092
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -21.735
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: 11
Temperature: 1.150000
Total energy: -192.873585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.873585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.873585 (E_RNA)
where:
Base-Base interactions energy: -105.493
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.514
local terms energy: -86.866851
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -160.509230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.509230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.509230 (E_RNA)
where:
Base-Base interactions energy: -88.810
where: short stacking energy: -50.561
Base-Backbone interact. energy: -0.745
local terms energy: -70.955020
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -142.042933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.042933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.042933 (E_RNA)
where:
Base-Base interactions energy: -78.683
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.188
local terms energy: -63.171531
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -104.201461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.201461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.201461 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -29.161
Base-Backbone interact. energy: 1.269
local terms energy: -74.222403
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -123.410287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.410287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.410287 (E_RNA)
where:
Base-Base interactions energy: -54.459
where: short stacking energy: -38.044
Base-Backbone interact. energy: -0.186
local terms energy: -68.765147
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -11.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -342.196341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.196341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.196341 (E_RNA)
where:
Base-Base interactions energy: -223.653
where: short stacking energy: -92.876
Base-Backbone interact. energy: -0.084
local terms energy: -118.458916
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -27.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -314.525620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.525620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.525620 (E_RNA)
where:
Base-Base interactions energy: -197.483
where: short stacking energy: -91.318
Base-Backbone interact. energy: -1.052
local terms energy: -115.991582
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -28.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -272.552455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.552455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.552455 (E_RNA)
where:
Base-Base interactions energy: -164.341
where: short stacking energy: -92.126
Base-Backbone interact. energy: -0.015
local terms energy: -108.196319
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -25.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -268.085228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.085228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.085228 (E_RNA)
where:
Base-Base interactions energy: -166.878
where: short stacking energy: -85.417
Base-Backbone interact. energy: -0.120
local terms energy: -101.087406
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -249.477647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.477647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.477647 (E_RNA)
where:
Base-Base interactions energy: -155.790
where: short stacking energy: -74.204
Base-Backbone interact. energy: -0.016
local terms energy: -93.670895
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -18.825
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: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -200.061722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.061722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.061722 (E_RNA)
where:
Base-Base interactions energy: -112.796
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.911
local terms energy: -86.355116
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -191.536415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.536415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.536415 (E_RNA)
where:
Base-Base interactions energy: -105.854
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.093
local terms energy: -85.589358
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -121.667048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.667048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.667048 (E_RNA)
where:
Base-Base interactions energy: -51.799
where: short stacking energy: -42.835
Base-Backbone interact. energy: 0.763
local terms energy: -70.630133
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: 1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -126.089210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.089210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.089210 (E_RNA)
where:
Base-Base interactions energy: -47.430
where: short stacking energy: -37.716
Base-Backbone interact. energy: -0.709
local terms energy: -77.950587
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -10.305
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: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -106.780608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.780608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.780608 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -33.810
Base-Backbone interact. energy: 1.161
local terms energy: -67.506112
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: 0.910
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: 9
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -352.155769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.155769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.155769 (E_RNA)
where:
Base-Base interactions energy: -229.986
where: short stacking energy: -109.194
Base-Backbone interact. energy: -0.453
local terms energy: -121.716283
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -324.245231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.245231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.245231 (E_RNA)
where:
Base-Base interactions energy: -224.414
where: short stacking energy: -99.882
Base-Backbone interact. energy: -1.034
local terms energy: -98.796774
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -29.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -278.484092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.484092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.484092 (E_RNA)
where:
Base-Base interactions energy: -179.057
where: short stacking energy: -91.957
Base-Backbone interact. energy: -0.073
local terms energy: -99.353830
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -250.213056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.213056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.213056 (E_RNA)
where:
Base-Base interactions energy: -147.845
where: short stacking energy: -68.270
Base-Backbone interact. energy: -0.160
local terms energy: -102.208550
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -255.992611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.992611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.992611 (E_RNA)
where:
Base-Base interactions energy: -151.570
where: short stacking energy: -77.770
Base-Backbone interact. energy: -0.003
local terms energy: -104.419392
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -184.263379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.263379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.263379 (E_RNA)
where:
Base-Base interactions energy: -96.073
where: short stacking energy: -61.049
Base-Backbone interact. energy: -0.438
local terms energy: -87.752770
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -154.082846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.082846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.082846 (E_RNA)
where:
Base-Base interactions energy: -72.275
where: short stacking energy: -46.234
Base-Backbone interact. energy: 0.559
local terms energy: -82.366349
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -147.780619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.780619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.780619 (E_RNA)
where:
Base-Base interactions energy: -70.733
where: short stacking energy: -46.200
Base-Backbone interact. energy: -0.262
local terms energy: -76.785485
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -124.082515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.082515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.082515 (E_RNA)
where:
Base-Base interactions energy: -55.708
where: short stacking energy: -34.447
Base-Backbone interact. energy: 0.917
local terms energy: -69.290912
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -5.084
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -107.127629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.127629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.127629 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -29.369
Base-Backbone interact. energy: -0.133
local terms energy: -77.011140
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -331.420192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.420192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.420192 (E_RNA)
where:
Base-Base interactions energy: -217.670
where: short stacking energy: -98.254
Base-Backbone interact. energy: -0.364
local terms energy: -113.385417
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -331.512770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.512770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.512770 (E_RNA)
where:
Base-Base interactions energy: -231.114
where: short stacking energy: -100.465
Base-Backbone interact. energy: -0.068
local terms energy: -100.330585
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -25.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -263.231599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.231599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.231599 (E_RNA)
where:
Base-Base interactions energy: -167.914
where: short stacking energy: -86.818
Base-Backbone interact. energy: -0.052
local terms energy: -95.265265
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -14.449
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: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -245.048784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.048784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.048784 (E_RNA)
where:
Base-Base interactions energy: -145.358
where: short stacking energy: -75.508
Base-Backbone interact. energy: -0.163
local terms energy: -99.528377
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -201.475238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.475238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.475238 (E_RNA)
where:
Base-Base interactions energy: -111.064
where: short stacking energy: -59.727
Base-Backbone interact. energy: -0.213
local terms energy: -90.198303
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -17.297
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: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -239.990799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.990799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.990799 (E_RNA)
where:
Base-Base interactions energy: -158.365
where: short stacking energy: -88.262
Base-Backbone interact. energy: -0.097
local terms energy: -81.528486
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -136.230086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.230086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.230086 (E_RNA)
where:
Base-Base interactions energy: -70.455
where: short stacking energy: -43.481
Base-Backbone interact. energy: -0.705
local terms energy: -65.070309
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -121.146122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.146122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.146122 (E_RNA)
where:
Base-Base interactions energy: -55.671
where: short stacking energy: -29.789
Base-Backbone interact. energy: 0.728
local terms energy: -66.202890
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -12.465
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: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -129.900806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.900806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.900806 (E_RNA)
where:
Base-Base interactions energy: -65.095
where: short stacking energy: -30.241
Base-Backbone interact. energy: 5.029
local terms energy: -69.835023
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -105.333174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.333174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.333174 (E_RNA)
where:
Base-Base interactions energy: -32.966
where: short stacking energy: -32.808
Base-Backbone interact. energy: -0.307
local terms energy: -72.059626
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -337.371366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.371366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.371366 (E_RNA)
where:
Base-Base interactions energy: -213.438
where: short stacking energy: -93.829
Base-Backbone interact. energy: 0.031
local terms energy: -123.964292
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -26.586
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -31.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -334.758708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.758708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.758708 (E_RNA)
where:
Base-Base interactions energy: -227.412
where: short stacking energy: -92.031
Base-Backbone interact. energy: 0.144
local terms energy: -107.490094
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -286.383233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.383233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.383233 (E_RNA)
where:
Base-Base interactions energy: -184.846
where: short stacking energy: -91.218
Base-Backbone interact. energy: -1.464
local terms energy: -100.073468
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -250.124512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.124512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.124512 (E_RNA)
where:
Base-Base interactions energy: -162.826
where: short stacking energy: -70.635
Base-Backbone interact. energy: -0.053
local terms energy: -87.244689
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -11.896
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: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -208.700156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.700156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.700156 (E_RNA)
where:
Base-Base interactions energy: -115.743
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.004
local terms energy: -92.952555
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -234.964593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.964593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.964593 (E_RNA)
where:
Base-Base interactions energy: -138.914
where: short stacking energy: -69.659
Base-Backbone interact. energy: -1.059
local terms energy: -94.991102
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -11.417
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: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -189.955195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.955195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.955195 (E_RNA)
where:
Base-Base interactions energy: -121.460
where: short stacking energy: -65.692
Base-Backbone interact. energy: -0.137
local terms energy: -68.358738
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -14.358
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: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -162.401616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.401616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.401616 (E_RNA)
where:
Base-Base interactions energy: -74.430
where: short stacking energy: -48.195
Base-Backbone interact. energy: -1.774
local terms energy: -86.197853
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -128.650280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.650280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.650280 (E_RNA)
where:
Base-Base interactions energy: -47.608
where: short stacking energy: -32.288
Base-Backbone interact. energy: -0.494
local terms energy: -80.548575
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -114.115690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.115690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.115690 (E_RNA)
where:
Base-Base interactions energy: -51.073
where: short stacking energy: -45.281
Base-Backbone interact. energy: -0.401
local terms energy: -62.641480
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: 0.163
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: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -330.787790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.787790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.787790 (E_RNA)
where:
Base-Base interactions energy: -222.004
where: short stacking energy: -103.377
Base-Backbone interact. energy: 2.059
local terms energy: -110.842854
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -29.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -324.827455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.827455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.827455 (E_RNA)
where:
Base-Base interactions energy: -212.562
where: short stacking energy: -93.091
Base-Backbone interact. energy: -1.114
local terms energy: -111.150923
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -295.760150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.760150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.760150 (E_RNA)
where:
Base-Base interactions energy: -191.995
where: short stacking energy: -97.302
Base-Backbone interact. energy: 0.352
local terms energy: -104.117207
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -22.549
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -22.745
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: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -265.172729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.172729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.172729 (E_RNA)
where:
Base-Base interactions energy: -154.740
where: short stacking energy: -84.870
Base-Backbone interact. energy: -1.041
local terms energy: -109.392036
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -24.231
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -20.731
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: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -250.066310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.066310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.066310 (E_RNA)
where:
Base-Base interactions energy: -153.959
where: short stacking energy: -74.470
Base-Backbone interact. energy: -0.111
local terms energy: -95.996852
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -14.993
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: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -226.585430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.585430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.585430 (E_RNA)
where:
Base-Base interactions energy: -126.994
where: short stacking energy: -71.929
Base-Backbone interact. energy: 0.974
local terms energy: -100.565332
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -26.678
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -228.862506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.862506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.862506 (E_RNA)
where:
Base-Base interactions energy: -145.543
where: short stacking energy: -69.976
Base-Backbone interact. energy: -0.555
local terms energy: -82.764431
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -11.955
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: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -149.241922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.241922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.241922 (E_RNA)
where:
Base-Base interactions energy: -70.250
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.484
local terms energy: -78.507666
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -109.063113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.063113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.063113 (E_RNA)
where:
Base-Base interactions energy: -32.685
where: short stacking energy: -32.685
Base-Backbone interact. energy: -0.245
local terms energy: -76.133009
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -108.680662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.680662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.680662 (E_RNA)
where:
Base-Base interactions energy: -37.381
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.471
local terms energy: -70.828727
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -2.181
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: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -338.838029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.838029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.838029 (E_RNA)
where:
Base-Base interactions energy: -217.453
where: short stacking energy: -101.806
Base-Backbone interact. energy: 0.616
local terms energy: -122.000604
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -31.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -325.695489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.695489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.695489 (E_RNA)
where:
Base-Base interactions energy: -208.017
where: short stacking energy: -95.639
Base-Backbone interact. energy: -0.714
local terms energy: -116.963931
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -29.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -301.512455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.512455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.512455 (E_RNA)
where:
Base-Base interactions energy: -188.934
where: short stacking energy: -91.185
Base-Backbone interact. energy: -0.279
local terms energy: -112.300045
where:
bonds (distance) C4'-P energy: -22.841
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -25.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -247.525450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.525450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.525450 (E_RNA)
where:
Base-Base interactions energy: -152.913
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.135
local terms energy: -94.477063
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -24.580
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -249.152102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.152102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.152102 (E_RNA)
where:
Base-Base interactions energy: -139.354
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.110
local terms energy: -109.688988
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -16.319
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -253.181138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.181138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.181138 (E_RNA)
where:
Base-Base interactions energy: -166.331
where: short stacking energy: -66.771
Base-Backbone interact. energy: -0.322
local terms energy: -86.528076
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -16.472
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: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -199.897450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.897450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.897450 (E_RNA)
where:
Base-Base interactions energy: -113.478
where: short stacking energy: -56.793
Base-Backbone interact. energy: 0.129
local terms energy: -86.549212
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -130.932785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.932785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.932785 (E_RNA)
where:
Base-Base interactions energy: -54.730
where: short stacking energy: -51.165
Base-Backbone interact. energy: -0.220
local terms energy: -75.982189
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -121.109172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.109172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.109172 (E_RNA)
where:
Base-Base interactions energy: -52.595
where: short stacking energy: -41.915
Base-Backbone interact. energy: 2.732
local terms energy: -71.246683
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -113.035971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.035971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.035971 (E_RNA)
where:
Base-Base interactions energy: -58.187
where: short stacking energy: -24.217
Base-Backbone interact. energy: -0.514
local terms energy: -54.334641
where:
bonds (distance) C4'-P energy: -23.602
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: 8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -340.858110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.858110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.858110 (E_RNA)
where:
Base-Base interactions energy: -218.424
where: short stacking energy: -94.857
Base-Backbone interact. energy: -0.551
local terms energy: -121.883953
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -31.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -321.338495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.338495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.338495 (E_RNA)
where:
Base-Base interactions energy: -201.017
where: short stacking energy: -94.984
Base-Backbone interact. energy: -0.655
local terms energy: -119.666871
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -27.983
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: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -306.350587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.350587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.350587 (E_RNA)
where:
Base-Base interactions energy: -192.968
where: short stacking energy: -94.985
Base-Backbone interact. energy: -0.180
local terms energy: -113.201839
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -25.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -267.970433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.970433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.970433 (E_RNA)
where:
Base-Base interactions energy: -172.519
where: short stacking energy: -81.614
Base-Backbone interact. energy: -0.618
local terms energy: -94.833297
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -15.604
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: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -265.628636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.628636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.628636 (E_RNA)
where:
Base-Base interactions energy: -174.333
where: short stacking energy: -79.404
Base-Backbone interact. energy: 0.419
local terms energy: -91.714633
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -13.300
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: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -231.879431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.879431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.879431 (E_RNA)
where:
Base-Base interactions energy: -141.351
where: short stacking energy: -64.048
Base-Backbone interact. energy: -0.387
local terms energy: -90.141192
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -225.097173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.097173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.097173 (E_RNA)
where:
Base-Base interactions energy: -129.876
where: short stacking energy: -67.058
Base-Backbone interact. energy: 2.215
local terms energy: -97.436560
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -132.873977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.873977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.873977 (E_RNA)
where:
Base-Base interactions energy: -64.796
where: short stacking energy: -33.505
Base-Backbone interact. energy: -1.943
local terms energy: -66.134944
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -13.740
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: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -121.822409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.822409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.822409 (E_RNA)
where:
Base-Base interactions energy: -37.167
where: short stacking energy: -37.167
Base-Backbone interact. energy: 1.092
local terms energy: -85.747051
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -120.696971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.696971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.696971 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -31.349
Base-Backbone interact. energy: -0.155
local terms energy: -84.588448
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -26.088
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -338.078756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.078756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.078756 (E_RNA)
where:
Base-Base interactions energy: -233.612
where: short stacking energy: -101.826
Base-Backbone interact. energy: -0.355
local terms energy: -104.112324
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -23.737
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: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -329.048895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.048895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.048895 (E_RNA)
where:
Base-Base interactions energy: -220.440
where: short stacking energy: -96.497
Base-Backbone interact. energy: -0.158
local terms energy: -108.451252
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -308.340387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.340387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.340387 (E_RNA)
where:
Base-Base interactions energy: -203.007
where: short stacking energy: -97.973
Base-Backbone interact. energy: -0.161
local terms energy: -105.172511
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -25.865
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: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -270.687813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.687813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.687813 (E_RNA)
where:
Base-Base interactions energy: -167.896
where: short stacking energy: -80.406
Base-Backbone interact. energy: -0.190
local terms energy: -102.602025
where:
bonds (distance) C4'-P energy: -24.431
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -249.035061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.035061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.035061 (E_RNA)
where:
Base-Base interactions energy: -155.439
where: short stacking energy: -76.563
Base-Backbone interact. energy: -0.004
local terms energy: -93.592731
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -219.225662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.225662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.225662 (E_RNA)
where:
Base-Base interactions energy: -116.684
where: short stacking energy: -74.528
Base-Backbone interact. energy: 0.808
local terms energy: -103.349794
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -18.561
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: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -253.225369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.225369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.225369 (E_RNA)
where:
Base-Base interactions energy: -153.136
where: short stacking energy: -75.731
Base-Backbone interact. energy: -0.716
local terms energy: -99.373450
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -130.727739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.727739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.727739 (E_RNA)
where:
Base-Base interactions energy: -46.668
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.188
local terms energy: -83.872332
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -2.499
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: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -160.800546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.800546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.800546 (E_RNA)
where:
Base-Base interactions energy: -82.135
where: short stacking energy: -45.984
Base-Backbone interact. energy: -0.089
local terms energy: -78.577223
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -24.780
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -10.974
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: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -112.834541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.834541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.834541 (E_RNA)
where:
Base-Base interactions energy: -44.692
where: short stacking energy: -44.692
Base-Backbone interact. energy: -0.186
local terms energy: -67.955844
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -338.328997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.328997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.328997 (E_RNA)
where:
Base-Base interactions energy: -222.837
where: short stacking energy: -104.091
Base-Backbone interact. energy: -0.385
local terms energy: -115.107795
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -26.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -327.740893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.740893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.740893 (E_RNA)
where:
Base-Base interactions energy: -225.015
where: short stacking energy: -90.722
Base-Backbone interact. energy: 4.462
local terms energy: -107.188157
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -25.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -315.571155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.571155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.571155 (E_RNA)
where:
Base-Base interactions energy: -212.702
where: short stacking energy: -88.545
Base-Backbone interact. energy: -0.990
local terms energy: -101.878685
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -289.278798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.278798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.278798 (E_RNA)
where:
Base-Base interactions energy: -185.675
where: short stacking energy: -88.273
Base-Backbone interact. energy: -0.287
local terms energy: -103.317121
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -262.473006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.473006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.473006 (E_RNA)
where:
Base-Base interactions energy: -167.199
where: short stacking energy: -73.162
Base-Backbone interact. energy: -0.507
local terms energy: -94.767292
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -15.710
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: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -214.410868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.410868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.410868 (E_RNA)
where:
Base-Base interactions energy: -120.092
where: short stacking energy: -69.934
Base-Backbone interact. energy: -0.174
local terms energy: -94.145572
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -227.784838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.784838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.784838 (E_RNA)
where:
Base-Base interactions energy: -144.497
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.161
local terms energy: -83.126619
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -119.511426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.511426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.511426 (E_RNA)
where:
Base-Base interactions energy: -42.661
where: short stacking energy: -34.593
Base-Backbone interact. energy: -0.524
local terms energy: -76.326215
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -108.948626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.948626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.948626 (E_RNA)
where:
Base-Base interactions energy: -41.453
where: short stacking energy: -29.625
Base-Backbone interact. energy: 0.452
local terms energy: -67.947329
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: 2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -121.705172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.705172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.705172 (E_RNA)
where:
Base-Base interactions energy: -57.350
where: short stacking energy: -28.701
Base-Backbone interact. energy: -0.520
local terms energy: -63.835198
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -12.560
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: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -338.054173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.054173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.054173 (E_RNA)
where:
Base-Base interactions energy: -228.679
where: short stacking energy: -102.727
Base-Backbone interact. energy: 0.773
local terms energy: -110.147965
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -23.207
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -337.517333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.517333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.517333 (E_RNA)
where:
Base-Base interactions energy: -235.324
where: short stacking energy: -96.972
Base-Backbone interact. energy: -0.565
local terms energy: -101.627822
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -25.084
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: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -321.794160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.794160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.794160 (E_RNA)
where:
Base-Base interactions energy: -218.297
where: short stacking energy: -89.275
Base-Backbone interact. energy: 0.222
local terms energy: -103.718280
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -23.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -293.269239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.269239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.269239 (E_RNA)
where:
Base-Base interactions energy: -191.798
where: short stacking energy: -84.293
Base-Backbone interact. energy: -0.382
local terms energy: -101.089183
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -245.555763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.555763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.555763 (E_RNA)
where:
Base-Base interactions energy: -143.626
where: short stacking energy: -65.821
Base-Backbone interact. energy: -0.191
local terms energy: -101.739185
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -233.375096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.375096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.375096 (E_RNA)
where:
Base-Base interactions energy: -150.991
where: short stacking energy: -79.388
Base-Backbone interact. energy: -0.152
local terms energy: -82.232013
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -176.945255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.945255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.945255 (E_RNA)
where:
Base-Base interactions energy: -93.974
where: short stacking energy: -48.144
Base-Backbone interact. energy: -0.619
local terms energy: -82.351808
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -4.648
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: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -126.872260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.872260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.872260 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -33.400
Base-Backbone interact. energy: -0.740
local terms energy: -83.105818
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -13.635
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: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -108.264234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.264234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.264234 (E_RNA)
where:
Base-Base interactions energy: -43.314
where: short stacking energy: -35.352
Base-Backbone interact. energy: 0.678
local terms energy: -65.627916
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -106.806292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.806292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.806292 (E_RNA)
where:
Base-Base interactions energy: -37.413
where: short stacking energy: -33.295
Base-Backbone interact. energy: -0.077
local terms energy: -69.315697
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: 2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -351.967332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.967332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.967332 (E_RNA)
where:
Base-Base interactions energy: -229.451
where: short stacking energy: -109.012
Base-Backbone interact. energy: -0.016
local terms energy: -122.500119
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -32.402
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: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -339.930478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.930478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.930478 (E_RNA)
where:
Base-Base interactions energy: -229.096
where: short stacking energy: -101.041
Base-Backbone interact. energy: -0.797
local terms energy: -110.036916
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -28.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -306.960443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.960443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.960443 (E_RNA)
where:
Base-Base interactions energy: -193.153
where: short stacking energy: -91.751
Base-Backbone interact. energy: -0.771
local terms energy: -113.037042
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -23.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -323.738671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.738671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.738671 (E_RNA)
where:
Base-Base interactions energy: -208.987
where: short stacking energy: -91.386
Base-Backbone interact. energy: -0.206
local terms energy: -114.545804
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -27.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -260.046501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.046501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.046501 (E_RNA)
where:
Base-Base interactions energy: -150.726
where: short stacking energy: -69.271
Base-Backbone interact. energy: -0.095
local terms energy: -109.224867
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -237.737156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.737156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.737156 (E_RNA)
where:
Base-Base interactions energy: -139.866
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.164
local terms energy: -97.707243
where:
bonds (distance) C4'-P energy: -24.832
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -177.215722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.215722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.215722 (E_RNA)
where:
Base-Base interactions energy: -91.846
where: short stacking energy: -38.278
Base-Backbone interact. energy: 0.587
local terms energy: -85.956571
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -24.150
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -117.866978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.866978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.866978 (E_RNA)
where:
Base-Base interactions energy: -39.983
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.118
local terms energy: -77.765048
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -15.789
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: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -110.915448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.915448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.915448 (E_RNA)
where:
Base-Base interactions energy: -33.054
where: short stacking energy: -29.447
Base-Backbone interact. energy: -0.944
local terms energy: -76.917170
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -25.191
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -142.431488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.431488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.431488 (E_RNA)
where:
Base-Base interactions energy: -82.297
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.850
local terms energy: -59.285104
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -360.088095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.088095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.088095 (E_RNA)
where:
Base-Base interactions energy: -244.792
where: short stacking energy: -105.660
Base-Backbone interact. energy: 0.156
local terms energy: -115.452186
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -33.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -323.670024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.670024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.670024 (E_RNA)
where:
Base-Base interactions energy: -208.294
where: short stacking energy: -93.393
Base-Backbone interact. energy: -0.056
local terms energy: -115.320186
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -25.939
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -27.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -334.052783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.052783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.052783 (E_RNA)
where:
Base-Base interactions energy: -217.615
where: short stacking energy: -108.301
Base-Backbone interact. energy: -0.291
local terms energy: -116.147126
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -32.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -300.534476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.534476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.534476 (E_RNA)
where:
Base-Base interactions energy: -198.445
where: short stacking energy: -80.352
Base-Backbone interact. energy: -0.226
local terms energy: -101.863617
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -257.911330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.911330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.911330 (E_RNA)
where:
Base-Base interactions energy: -150.892
where: short stacking energy: -75.266
Base-Backbone interact. energy: -0.535
local terms energy: -106.484449
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -244.429013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.429013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.429013 (E_RNA)
where:
Base-Base interactions energy: -155.281
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.538
local terms energy: -88.610667
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -175.168885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.168885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.168885 (E_RNA)
where:
Base-Base interactions energy: -88.099
where: short stacking energy: -56.626
Base-Backbone interact. energy: -0.041
local terms energy: -87.028629
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -111.891430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.891430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.891430 (E_RNA)
where:
Base-Base interactions energy: -29.626
where: short stacking energy: -28.878
Base-Backbone interact. energy: -0.664
local terms energy: -81.601315
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -5.984
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: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -117.634286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.634286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.634286 (E_RNA)
where:
Base-Base interactions energy: -39.917
where: short stacking energy: -38.548
Base-Backbone interact. energy: -0.421
local terms energy: -77.296072
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -120.264798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.264798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.264798 (E_RNA)
where:
Base-Base interactions energy: -44.139
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.312
local terms energy: -75.812955
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -327.576482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.576482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.576482 (E_RNA)
where:
Base-Base interactions energy: -208.122
where: short stacking energy: -100.728
Base-Backbone interact. energy: -0.601
local terms energy: -118.852837
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -24.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -339.353292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.353292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.353292 (E_RNA)
where:
Base-Base interactions energy: -225.238
where: short stacking energy: -99.192
Base-Backbone interact. energy: -0.061
local terms energy: -114.054297
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -32.477
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: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -309.181186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.181186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.181186 (E_RNA)
where:
Base-Base interactions energy: -207.241
where: short stacking energy: -94.819
Base-Backbone interact. energy: -0.420
local terms energy: -101.520703
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -295.221857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.221857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.221857 (E_RNA)
where:
Base-Base interactions energy: -186.402
where: short stacking energy: -70.548
Base-Backbone interact. energy: -1.398
local terms energy: -107.422163
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -263.835046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.835046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.835046 (E_RNA)
where:
Base-Base interactions energy: -158.748
where: short stacking energy: -80.588
Base-Backbone interact. energy: -0.083
local terms energy: -105.003632
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -261.161753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.161753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.161753 (E_RNA)
where:
Base-Base interactions energy: -162.799
where: short stacking energy: -72.407
Base-Backbone interact. energy: -0.415
local terms energy: -97.948106
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -17.088
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: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -194.278376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.278376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.278376 (E_RNA)
where:
Base-Base interactions energy: -120.708
where: short stacking energy: -56.437
Base-Backbone interact. energy: -0.309
local terms energy: -73.260635
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -4.815
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: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -119.951266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.951266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.951266 (E_RNA)
where:
Base-Base interactions energy: -37.079
where: short stacking energy: -35.412
Base-Backbone interact. energy: -1.359
local terms energy: -81.513893
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -26.822
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -104.871044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.871044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.871044 (E_RNA)
where:
Base-Base interactions energy: -27.540
where: short stacking energy: -27.540
Base-Backbone interact. energy: 0.543
local terms energy: -77.873702
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -110.710430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.710430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.710430 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -38.239
Base-Backbone interact. energy: -0.688
local terms energy: -73.120307
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: 1.169
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: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -336.038689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.038689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.038689 (E_RNA)
where:
Base-Base interactions energy: -224.216
where: short stacking energy: -95.084
Base-Backbone interact. energy: -0.156
local terms energy: -111.666130
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -331.296189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.296189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.296189 (E_RNA)
where:
Base-Base interactions energy: -219.208
where: short stacking energy: -102.852
Base-Backbone interact. energy: -0.026
local terms energy: -112.062515
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -28.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -340.158658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.158658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.158658 (E_RNA)
where:
Base-Base interactions energy: -219.930
where: short stacking energy: -108.043
Base-Backbone interact. energy: -0.205
local terms energy: -120.023318
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -33.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -271.866656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.866656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.866656 (E_RNA)
where:
Base-Base interactions energy: -163.614
where: short stacking energy: -84.543
Base-Backbone interact. energy: -0.073
local terms energy: -108.180162
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -21.249
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: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -239.720755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.720755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.720755 (E_RNA)
where:
Base-Base interactions energy: -155.354
where: short stacking energy: -79.526
Base-Backbone interact. energy: -0.624
local terms energy: -83.742991
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -14.696
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: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -218.793466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.793466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.793466 (E_RNA)
where:
Base-Base interactions energy: -134.661
where: short stacking energy: -63.530
Base-Backbone interact. energy: 0.959
local terms energy: -85.091525
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -23.866
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -12.326
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: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -194.190253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.190253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.190253 (E_RNA)
where:
Base-Base interactions energy: -120.495
where: short stacking energy: -50.124
Base-Backbone interact. energy: -0.264
local terms energy: -73.430708
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -136.646598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.646598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.646598 (E_RNA)
where:
Base-Base interactions energy: -49.924
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.187
local terms energy: -86.535280
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -126.374969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.374969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.374969 (E_RNA)
where:
Base-Base interactions energy: -48.868
where: short stacking energy: -46.443
Base-Backbone interact. energy: 0.214
local terms energy: -77.721020
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -2.219
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: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -99.654489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.654489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.654489 (E_RNA)
where:
Base-Base interactions energy: -25.500
where: short stacking energy: -18.974
Base-Backbone interact. energy: -0.446
local terms energy: -73.708837
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: 3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -328.624580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.624580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.624580 (E_RNA)
where:
Base-Base interactions energy: -206.225
where: short stacking energy: -105.582
Base-Backbone interact. energy: -0.114
local terms energy: -122.285105
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -25.788
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -325.705268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.705268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.705268 (E_RNA)
where:
Base-Base interactions energy: -210.945
where: short stacking energy: -97.299
Base-Backbone interact. energy: -0.200
local terms energy: -114.560069
where:
bonds (distance) C4'-P energy: -25.921
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -26.255
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -27.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -337.452152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.452152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.452152 (E_RNA)
where:
Base-Base interactions energy: -225.728
where: short stacking energy: -95.065
Base-Backbone interact. energy: -0.501
local terms energy: -111.223627
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -28.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -273.647228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.647228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.647228 (E_RNA)
where:
Base-Base interactions energy: -169.646
where: short stacking energy: -80.061
Base-Backbone interact. energy: -0.623
local terms energy: -103.378379
where:
bonds (distance) C4'-P energy: -23.667
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -257.903566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.903566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.903566 (E_RNA)
where:
Base-Base interactions energy: -165.195
where: short stacking energy: -61.700
Base-Backbone interact. energy: -0.340
local terms energy: -92.368849
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -254.403561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.403561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.403561 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -84.798
Base-Backbone interact. energy: -0.091
local terms energy: -101.182527
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -25.671
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: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -234.225106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.225106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.225106 (E_RNA)
where:
Base-Base interactions energy: -142.473
where: short stacking energy: -81.840
Base-Backbone interact. energy: 0.228
local terms energy: -91.979667
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -23.911
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -136.330009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.330009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.330009 (E_RNA)
where:
Base-Base interactions energy: -55.070
where: short stacking energy: -46.182
Base-Backbone interact. energy: 2.391
local terms energy: -83.650254
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -117.291020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.291020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.291020 (E_RNA)
where:
Base-Base interactions energy: -51.949
where: short stacking energy: -51.102
Base-Backbone interact. energy: -0.273
local terms energy: -65.069049
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -105.047107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.047107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.047107 (E_RNA)
where:
Base-Base interactions energy: -39.057
where: short stacking energy: -39.057
Base-Backbone interact. energy: -0.195
local terms energy: -65.795892
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -2.028
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: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -332.072807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.072807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.072807 (E_RNA)
where:
Base-Base interactions energy: -228.348
where: short stacking energy: -91.675
Base-Backbone interact. energy: -0.754
local terms energy: -102.970390
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -338.064210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.064210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.064210 (E_RNA)
where:
Base-Base interactions energy: -219.107
where: short stacking energy: -105.862
Base-Backbone interact. energy: -0.140
local terms energy: -118.817230
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -32.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -311.436312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.436312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.436312 (E_RNA)
where:
Base-Base interactions energy: -200.198
where: short stacking energy: -97.617
Base-Backbone interact. energy: -0.194
local terms energy: -111.044736
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -25.333
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -26.245
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: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -283.124001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.124001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.124001 (E_RNA)
where:
Base-Base interactions energy: -184.380
where: short stacking energy: -96.677
Base-Backbone interact. energy: -0.296
local terms energy: -98.447501
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -264.423651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.423651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.423651 (E_RNA)
where:
Base-Base interactions energy: -167.270
where: short stacking energy: -81.604
Base-Backbone interact. energy: 0.075
local terms energy: -97.227966
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -252.306354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.306354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.306354 (E_RNA)
where:
Base-Base interactions energy: -151.777
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.155
local terms energy: -100.373851
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -14.896
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: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -163.762667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.762667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.762667 (E_RNA)
where:
Base-Base interactions energy: -73.748
where: short stacking energy: -37.120
Base-Backbone interact. energy: -0.148
local terms energy: -89.866917
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -176.732509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732509 (E_RNA)
where:
Base-Base interactions energy: -102.647
where: short stacking energy: -46.882
Base-Backbone interact. energy: -1.099
local terms energy: -72.987157
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -3.087
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: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -120.607710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.607710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.607710 (E_RNA)
where:
Base-Base interactions energy: -46.893
where: short stacking energy: -45.427
Base-Backbone interact. energy: 0.137
local terms energy: -73.852049
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -114.992489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.992489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.992489 (E_RNA)
where:
Base-Base interactions energy: -38.012
where: short stacking energy: -34.615
Base-Backbone interact. energy: -0.878
local terms energy: -76.102439
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -350.318473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.318473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.318473 (E_RNA)
where:
Base-Base interactions energy: -231.806
where: short stacking energy: -96.828
Base-Backbone interact. energy: -0.215
local terms energy: -118.297308
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -28.542
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: 28
Temperature: 0.950000
Total energy: -318.719223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.719223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.719223 (E_RNA)
where:
Base-Base interactions energy: -209.649
where: short stacking energy: -100.868
Base-Backbone interact. energy: -0.258
local terms energy: -108.811912
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -27.510
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: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -317.668888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.668888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.668888 (E_RNA)
where:
Base-Base interactions energy: -211.513
where: short stacking energy: -106.504
Base-Backbone interact. energy: -0.229
local terms energy: -105.926140
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -30.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -260.176240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.176240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.176240 (E_RNA)
where:
Base-Base interactions energy: -162.485
where: short stacking energy: -81.524
Base-Backbone interact. energy: -0.598
local terms energy: -97.093608
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -251.533720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.533720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.533720 (E_RNA)
where:
Base-Base interactions energy: -147.691
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.111
local terms energy: -103.732571
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -25.796
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -13.061
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: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -258.375235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.375235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.375235 (E_RNA)
where:
Base-Base interactions energy: -165.951
where: short stacking energy: -69.736
Base-Backbone interact. energy: 0.126
local terms energy: -92.550658
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -212.991057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.991057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.991057 (E_RNA)
where:
Base-Base interactions energy: -127.139
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.337
local terms energy: -85.515591
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -12.362
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: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -159.709536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.709536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.709536 (E_RNA)
where:
Base-Base interactions energy: -84.173
where: short stacking energy: -41.803
Base-Backbone interact. energy: -0.242
local terms energy: -75.294725
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -111.441496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.441496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.441496 (E_RNA)
where:
Base-Base interactions energy: -45.044
where: short stacking energy: -40.052
Base-Backbone interact. energy: 3.439
local terms energy: -69.836240
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -16.555
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: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -104.335195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.335195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.335195 (E_RNA)
where:
Base-Base interactions energy: -44.005
where: short stacking energy: -36.726
Base-Backbone interact. energy: -0.347
local terms energy: -59.982993
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: 3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -354.198063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.198063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.198063 (E_RNA)
where:
Base-Base interactions energy: -233.981
where: short stacking energy: -111.901
Base-Backbone interact. energy: -0.131
local terms energy: -120.086169
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -32.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -321.373402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.373402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.373402 (E_RNA)
where:
Base-Base interactions energy: -207.940
where: short stacking energy: -97.729
Base-Backbone interact. energy: -0.103
local terms energy: -113.330581
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -25.942
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: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -311.207393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.207393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.207393 (E_RNA)
where:
Base-Base interactions energy: -195.943
where: short stacking energy: -101.358
Base-Backbone interact. energy: 0.395
local terms energy: -115.659237
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -33.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -270.307438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.307438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.307438 (E_RNA)
where:
Base-Base interactions energy: -172.208
where: short stacking energy: -77.064
Base-Backbone interact. energy: 0.341
local terms energy: -98.439875
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -11.646
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: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -257.405193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.405193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.405193 (E_RNA)
where:
Base-Base interactions energy: -166.676
where: short stacking energy: -75.190
Base-Backbone interact. energy: -0.104
local terms energy: -90.625369
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -13.936
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: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -229.455245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.455245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.455245 (E_RNA)
where:
Base-Base interactions energy: -141.144
where: short stacking energy: -62.719
Base-Backbone interact. energy: 1.084
local terms energy: -89.395227
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -218.604108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.604108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.604108 (E_RNA)
where:
Base-Base interactions energy: -119.833
where: short stacking energy: -59.100
Base-Backbone interact. energy: 0.601
local terms energy: -99.371660
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -185.341133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.341133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.341133 (E_RNA)
where:
Base-Base interactions energy: -101.642
where: short stacking energy: -60.087
Base-Backbone interact. energy: 0.932
local terms energy: -84.631317
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -119.111200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.111200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.111200 (E_RNA)
where:
Base-Base interactions energy: -48.165
where: short stacking energy: -34.676
Base-Backbone interact. energy: 0.097
local terms energy: -71.043705
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -104.416872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.416872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.416872 (E_RNA)
where:
Base-Base interactions energy: -39.332
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.302
local terms energy: -64.782181
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -354.847344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.847344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.847344 (E_RNA)
where:
Base-Base interactions energy: -223.518
where: short stacking energy: -98.852
Base-Backbone interact. energy: 0.031
local terms energy: -131.360857
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -32.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -318.786075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.786075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.786075 (E_RNA)
where:
Base-Base interactions energy: -201.554
where: short stacking energy: -96.439
Base-Backbone interact. energy: -0.381
local terms energy: -116.851269
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -34.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -302.674576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.674576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.674576 (E_RNA)
where:
Base-Base interactions energy: -194.878
where: short stacking energy: -93.579
Base-Backbone interact. energy: -0.274
local terms energy: -107.523042
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -31.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -279.394094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.394094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.394094 (E_RNA)
where:
Base-Base interactions energy: -177.472
where: short stacking energy: -87.265
Base-Backbone interact. energy: -0.214
local terms energy: -101.707881
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -288.158343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.158343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.158343 (E_RNA)
where:
Base-Base interactions energy: -177.476
where: short stacking energy: -86.243
Base-Backbone interact. energy: -0.241
local terms energy: -110.441350
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -26.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -252.066549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.066549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.066549 (E_RNA)
where:
Base-Base interactions energy: -164.788
where: short stacking energy: -74.467
Base-Backbone interact. energy: 0.341
local terms energy: -87.620238
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -151.578061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.578061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.578061 (E_RNA)
where:
Base-Base interactions energy: -70.667
where: short stacking energy: -33.189
Base-Backbone interact. energy: -0.470
local terms energy: -80.440492
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -22.667
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -231.990244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.990244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.990244 (E_RNA)
where:
Base-Base interactions energy: -146.107
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.222
local terms energy: -85.660427
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -123.337895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.337895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.337895 (E_RNA)
where:
Base-Base interactions energy: -46.059
where: short stacking energy: -46.059
Base-Backbone interact. energy: -0.377
local terms energy: -76.902554
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -10.936
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: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -106.022107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.022107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.022107 (E_RNA)
where:
Base-Base interactions energy: -41.748
where: short stacking energy: -41.748
Base-Backbone interact. energy: -0.090
local terms energy: -64.183608
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -9.070
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: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -354.590574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.590574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.590574 (E_RNA)
where:
Base-Base interactions energy: -232.758
where: short stacking energy: -107.190
Base-Backbone interact. energy: -0.041
local terms energy: -121.791637
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -26.386
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -31.406
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: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -322.157908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.157908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.157908 (E_RNA)
where:
Base-Base interactions energy: -207.387
where: short stacking energy: -104.117
Base-Backbone interact. energy: -0.037
local terms energy: -114.734548
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -29.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -306.527365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.527365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.527365 (E_RNA)
where:
Base-Base interactions energy: -189.036
where: short stacking energy: -92.806
Base-Backbone interact. energy: -0.004
local terms energy: -117.487749
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -292.939872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.939872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.939872 (E_RNA)
where:
Base-Base interactions energy: -184.532
where: short stacking energy: -101.380
Base-Backbone interact. energy: 0.852
local terms energy: -109.259730
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -252.874144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.874144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.874144 (E_RNA)
where:
Base-Base interactions energy: -155.557
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.596
local terms energy: -96.720968
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -17.068
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -237.188811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.188811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.188811 (E_RNA)
where:
Base-Base interactions energy: -142.729
where: short stacking energy: -62.654
Base-Backbone interact. energy: 0.495
local terms energy: -94.954151
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -126.488552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.488552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.488552 (E_RNA)
where:
Base-Base interactions energy: -47.328
where: short stacking energy: -35.649
Base-Backbone interact. energy: 2.889
local terms energy: -82.050045
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -229.758523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.758523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.758523 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.698
local terms energy: -91.495903
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -11.198
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: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -115.946111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.946111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.946111 (E_RNA)
where:
Base-Base interactions energy: -47.838
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.705
local terms energy: -67.402414
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -10.106
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: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -99.630095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.630095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.630095 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -32.943
Base-Backbone interact. energy: 0.238
local terms energy: -67.825247
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -353.076123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.076123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.076123 (E_RNA)
where:
Base-Base interactions energy: -232.907
where: short stacking energy: -103.413
Base-Backbone interact. energy: 1.089
local terms energy: -121.257857
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -31.406
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: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -319.194216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.194216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.194216 (E_RNA)
where:
Base-Base interactions energy: -211.122
where: short stacking energy: -90.666
Base-Backbone interact. energy: -0.301
local terms energy: -107.771442
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -22.290
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: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -299.755930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.755930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.755930 (E_RNA)
where:
Base-Base interactions energy: -199.472
where: short stacking energy: -95.643
Base-Backbone interact. energy: 1.003
local terms energy: -101.286972
where:
bonds (distance) C4'-P energy: -26.010
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -292.108417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.108417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.108417 (E_RNA)
where:
Base-Base interactions energy: -188.132
where: short stacking energy: -107.125
Base-Backbone interact. energy: -0.179
local terms energy: -103.796611
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -30.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -252.331848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.331848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.331848 (E_RNA)
where:
Base-Base interactions energy: -150.525
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.069
local terms energy: -101.738360
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -24.506
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -242.459210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.459210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.459210 (E_RNA)
where:
Base-Base interactions energy: -150.593
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.115
local terms energy: -91.751523
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -230.578988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.578988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.578988 (E_RNA)
where:
Base-Base interactions energy: -140.902
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.299
local terms energy: -89.377403
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -116.813704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.813704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.813704 (E_RNA)
where:
Base-Base interactions energy: -41.455
where: short stacking energy: -41.555
Base-Backbone interact. energy: -0.740
local terms energy: -74.619372
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -1.704
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: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -116.223167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.223167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.223167 (E_RNA)
where:
Base-Base interactions energy: -40.168
where: short stacking energy: -40.151
Base-Backbone interact. energy: -0.432
local terms energy: -75.622691
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -107.198110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.198110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.198110 (E_RNA)
where:
Base-Base interactions energy: -40.259
where: short stacking energy: -39.071
Base-Backbone interact. energy: 0.691
local terms energy: -67.629615
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -343.299051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.299051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.299051 (E_RNA)
where:
Base-Base interactions energy: -226.392
where: short stacking energy: -103.636
Base-Backbone interact. energy: -0.087
local terms energy: -116.820123
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -33.161
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: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -315.183420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.183420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.183420 (E_RNA)
where:
Base-Base interactions energy: -204.657
where: short stacking energy: -105.514
Base-Backbone interact. energy: 2.184
local terms energy: -112.710918
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -24.323
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -19.016
tors. eta vs tors. theta energy: -32.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -310.356902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.356902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.356902 (E_RNA)
where:
Base-Base interactions energy: -200.107
where: short stacking energy: -95.864
Base-Backbone interact. energy: -0.024
local terms energy: -110.225854
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -28.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -269.919934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.919934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.919934 (E_RNA)
where:
Base-Base interactions energy: -159.567
where: short stacking energy: -83.034
Base-Backbone interact. energy: -0.022
local terms energy: -110.331653
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -27.029
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -288.755008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.755008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.755008 (E_RNA)
where:
Base-Base interactions energy: -188.939
where: short stacking energy: -91.774
Base-Backbone interact. energy: -0.210
local terms energy: -99.605773
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -23.915
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -27.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -238.739827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.739827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.739827 (E_RNA)
where:
Base-Base interactions energy: -147.071
where: short stacking energy: -76.129
Base-Backbone interact. energy: -1.861
local terms energy: -89.808197
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -229.303298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.303298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.303298 (E_RNA)
where:
Base-Base interactions energy: -134.367
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.064
local terms energy: -94.872461
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -25.391
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -13.638
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: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -122.200979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.200979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.200979 (E_RNA)
where:
Base-Base interactions energy: -51.043
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.831
local terms energy: -70.326748
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: 1.228
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: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -131.718767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.718767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.718767 (E_RNA)
where:
Base-Base interactions energy: -41.043
where: short stacking energy: -40.751
Base-Backbone interact. energy: -0.459
local terms energy: -90.216931
where:
bonds (distance) C4'-P energy: -24.684
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -5.394
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: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -110.599291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.599291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.599291 (E_RNA)
where:
Base-Base interactions energy: -41.381
where: short stacking energy: -37.701
Base-Backbone interact. energy: 0.510
local terms energy: -69.728372
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -3.150
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: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -368.406557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.406557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.406557 (E_RNA)
where:
Base-Base interactions energy: -241.815
where: short stacking energy: -115.773
Base-Backbone interact. energy: -0.020
local terms energy: -126.571757
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -30.378
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: 2, replica: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -325.394568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.394568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.394568 (E_RNA)
where:
Base-Base interactions energy: -204.615
where: short stacking energy: -102.217
Base-Backbone interact. energy: -0.030
local terms energy: -120.750178
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -28.618
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: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -312.803808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.803808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.803808 (E_RNA)
where:
Base-Base interactions energy: -204.101
where: short stacking energy: -97.336
Base-Backbone interact. energy: -0.105
local terms energy: -108.597342
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -257.603422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.603422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.603422 (E_RNA)
where:
Base-Base interactions energy: -149.970
where: short stacking energy: -74.570
Base-Backbone interact. energy: -0.109
local terms energy: -107.523942
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -11.923
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: 34
Temperature: 1.100000
Total energy: -285.863984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.863984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.863984 (E_RNA)
where:
Base-Base interactions energy: -178.821
where: short stacking energy: -78.420
Base-Backbone interact. energy: -0.160
local terms energy: -106.882894
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -22.812
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -263.436326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.436326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.436326 (E_RNA)
where:
Base-Base interactions energy: -168.946
where: short stacking energy: -80.675
Base-Backbone interact. energy: 1.481
local terms energy: -95.971714
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -10.332
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: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -216.990802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.990802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.990802 (E_RNA)
where:
Base-Base interactions energy: -129.693
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.290
local terms energy: -87.007374
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -6.194
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: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -128.498934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.498934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.498934 (E_RNA)
where:
Base-Base interactions energy: -39.919
where: short stacking energy: -37.382
Base-Backbone interact. energy: -0.482
local terms energy: -88.098214
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -8.252
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: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -119.109958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.109958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.109958 (E_RNA)
where:
Base-Base interactions energy: -43.406
where: short stacking energy: -43.406
Base-Backbone interact. energy: -0.016
local terms energy: -75.687872
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -105.963137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.963137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.963137 (E_RNA)
where:
Base-Base interactions energy: -33.844
where: short stacking energy: -32.244
Base-Backbone interact. energy: -0.447
local terms energy: -71.672066
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -359.779054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.779054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.779054 (E_RNA)
where:
Base-Base interactions energy: -236.970
where: short stacking energy: -112.256
Base-Backbone interact. energy: -0.048
local terms energy: -122.760497
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -34.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -326.342575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.342575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.342575 (E_RNA)
where:
Base-Base interactions energy: -203.920
where: short stacking energy: -98.320
Base-Backbone interact. energy: -0.236
local terms energy: -122.185656
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -29.555
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: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -304.153033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.153033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.153033 (E_RNA)
where:
Base-Base interactions energy: -199.490
where: short stacking energy: -94.763
Base-Backbone interact. energy: 0.247
local terms energy: -104.910365
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -29.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -289.784234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.784234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.784234 (E_RNA)
where:
Base-Base interactions energy: -173.522
where: short stacking energy: -93.846
Base-Backbone interact. energy: -2.157
local terms energy: -114.104987
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -27.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -255.695243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.695243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.695243 (E_RNA)
where:
Base-Base interactions energy: -147.589
where: short stacking energy: -81.113
Base-Backbone interact. energy: -0.122
local terms energy: -107.984627
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -26.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -261.779706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.779706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.779706 (E_RNA)
where:
Base-Base interactions energy: -153.040
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.479
local terms energy: -108.260418
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -241.235116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.235116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.235116 (E_RNA)
where:
Base-Base interactions energy: -157.167
where: short stacking energy: -78.326
Base-Backbone interact. energy: -0.650
local terms energy: -83.417633
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -11.602
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: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -137.988636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.988636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.988636 (E_RNA)
where:
Base-Base interactions energy: -56.721
where: short stacking energy: -42.677
Base-Backbone interact. energy: -2.631
local terms energy: -78.636543
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -103.024145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.024145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.024145 (E_RNA)
where:
Base-Base interactions energy: -42.885
where: short stacking energy: -42.885
Base-Backbone interact. energy: -0.290
local terms energy: -59.848789
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -114.472517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.472517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.472517 (E_RNA)
where:
Base-Base interactions energy: -44.987
where: short stacking energy: -31.479
Base-Backbone interact. energy: -1.773
local terms energy: -67.712858
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: 4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -344.747807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.747807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.747807 (E_RNA)
where:
Base-Base interactions energy: -228.532
where: short stacking energy: -94.305
Base-Backbone interact. energy: -0.043
local terms energy: -116.172990
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -28.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -340.441738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.441738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.441738 (E_RNA)
where:
Base-Base interactions energy: -224.696
where: short stacking energy: -107.075
Base-Backbone interact. energy: -0.515
local terms energy: -115.230803
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -28.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -319.910972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.910972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.910972 (E_RNA)
where:
Base-Base interactions energy: -212.855
where: short stacking energy: -106.289
Base-Backbone interact. energy: -0.017
local terms energy: -107.038784
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -300.302569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.302569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.302569 (E_RNA)
where:
Base-Base interactions energy: -195.218
where: short stacking energy: -93.171
Base-Backbone interact. energy: 3.545
local terms energy: -108.629186
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -28.223
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: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -259.856357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.856357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.856357 (E_RNA)
where:
Base-Base interactions energy: -175.426
where: short stacking energy: -80.925
Base-Backbone interact. energy: -0.718
local terms energy: -83.712822
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -10.269
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: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -234.639827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.639827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.639827 (E_RNA)
where:
Base-Base interactions energy: -134.314
where: short stacking energy: -76.994
Base-Backbone interact. energy: -0.115
local terms energy: -100.210453
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -245.740015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.740015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.740015 (E_RNA)
where:
Base-Base interactions energy: -154.027
where: short stacking energy: -69.726
Base-Backbone interact. energy: -1.655
local terms energy: -90.058912
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -14.440
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: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -136.013698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.013698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.013698 (E_RNA)
where:
Base-Base interactions energy: -58.784
where: short stacking energy: -35.459
Base-Backbone interact. energy: -0.113
local terms energy: -77.116010
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: 0.014
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: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -112.261175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.261175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.261175 (E_RNA)
where:
Base-Base interactions energy: -39.203
where: short stacking energy: -38.045
Base-Backbone interact. energy: -0.015
local terms energy: -73.043604
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: 1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -114.261160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.261160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.261160 (E_RNA)
where:
Base-Base interactions energy: -47.558
where: short stacking energy: -34.260
Base-Backbone interact. energy: -0.412
local terms energy: -66.291335
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -352.406250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.406250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.406250 (E_RNA)
where:
Base-Base interactions energy: -225.986
where: short stacking energy: -109.428
Base-Backbone interact. energy: -0.292
local terms energy: -126.127621
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -37.322
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: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -323.446667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.446667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.446667 (E_RNA)
where:
Base-Base interactions energy: -212.203
where: short stacking energy: -105.511
Base-Backbone interact. energy: -0.096
local terms energy: -111.147820
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -30.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -330.180624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.180624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.180624 (E_RNA)
where:
Base-Base interactions energy: -216.476
where: short stacking energy: -104.971
Base-Backbone interact. energy: -0.205
local terms energy: -113.499388
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -31.248
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: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -323.914465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.914465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.914465 (E_RNA)
where:
Base-Base interactions energy: -210.314
where: short stacking energy: -88.998
Base-Backbone interact. energy: -0.274
local terms energy: -113.326557
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -28.851
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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -246.587828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.587828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.587828 (E_RNA)
where:
Base-Base interactions energy: -145.520
where: short stacking energy: -74.153
Base-Backbone interact. energy: 0.673
local terms energy: -101.740639
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -12.581
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: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -260.299273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.299273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.299273 (E_RNA)
where:
Base-Base interactions energy: -160.898
where: short stacking energy: -74.226
Base-Backbone interact. energy: -1.163
local terms energy: -98.238783
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -14.352
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: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -225.499286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.499286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.499286 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -70.058
Base-Backbone interact. energy: -0.213
local terms energy: -86.068797
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -115.894005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.894005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.894005 (E_RNA)
where:
Base-Base interactions energy: -30.468
where: short stacking energy: -30.190
Base-Backbone interact. energy: -0.297
local terms energy: -85.129571
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -174.388206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.388206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.388206 (E_RNA)
where:
Base-Base interactions energy: -91.283
where: short stacking energy: -45.373
Base-Backbone interact. energy: -0.317
local terms energy: -82.787368
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -24.342
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -114.918238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.918238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.918238 (E_RNA)
where:
Base-Base interactions energy: -43.399
where: short stacking energy: -34.883
Base-Backbone interact. energy: -0.146
local terms energy: -71.372446
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -8.679
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: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -353.822853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.822853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.822853 (E_RNA)
where:
Base-Base interactions energy: -227.392
where: short stacking energy: -109.642
Base-Backbone interact. energy: -0.152
local terms energy: -126.279437
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -32.118
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: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -315.252724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.252724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.252724 (E_RNA)
where:
Base-Base interactions energy: -201.073
where: short stacking energy: -96.699
Base-Backbone interact. energy: -0.125
local terms energy: -114.055197
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -25.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -323.994619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.994619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.994619 (E_RNA)
where:
Base-Base interactions energy: -214.074
where: short stacking energy: -94.486
Base-Backbone interact. energy: -2.066
local terms energy: -107.854806
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -23.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -317.088460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.088460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.088460 (E_RNA)
where:
Base-Base interactions energy: -219.520
where: short stacking energy: -109.921
Base-Backbone interact. energy: -0.047
local terms energy: -97.521273
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -259.550131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.550131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.550131 (E_RNA)
where:
Base-Base interactions energy: -160.099
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.250
local terms energy: -99.201093
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -18.886
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: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -259.691014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.691014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.691014 (E_RNA)
where:
Base-Base interactions energy: -161.218
where: short stacking energy: -81.857
Base-Backbone interact. energy: -0.160
local terms energy: -98.313377
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -20.900
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: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -119.869832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.869832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.869832 (E_RNA)
where:
Base-Base interactions energy: -43.851
where: short stacking energy: -38.876
Base-Backbone interact. energy: -0.609
local terms energy: -75.410252
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -236.540095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.540095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.540095 (E_RNA)
where:
Base-Base interactions energy: -143.589
where: short stacking energy: -76.266
Base-Backbone interact. energy: 0.796
local terms energy: -93.747064
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -126.083600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.083600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.083600 (E_RNA)
where:
Base-Base interactions energy: -52.081
where: short stacking energy: -47.051
Base-Backbone interact. energy: -0.231
local terms energy: -73.772084
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.287
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: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -180.784135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.784135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.784135 (E_RNA)
where:
Base-Base interactions energy: -103.506
where: short stacking energy: -48.523
Base-Backbone interact. energy: 0.596
local terms energy: -77.874381
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -0.728
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: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -358.331687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.331687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.331687 (E_RNA)
where:
Base-Base interactions energy: -241.853
where: short stacking energy: -110.758
Base-Backbone interact. energy: -0.068
local terms energy: -116.411082
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -34.068
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -323.984909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.984909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.984909 (E_RNA)
where:
Base-Base interactions energy: -198.385
where: short stacking energy: -113.569
Base-Backbone interact. energy: -0.013
local terms energy: -125.585985
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -35.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -318.781806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.781806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.781806 (E_RNA)
where:
Base-Base interactions energy: -206.119
where: short stacking energy: -85.205
Base-Backbone interact. energy: -1.038
local terms energy: -111.624685
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -26.291
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: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -310.202666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.202666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.202666 (E_RNA)
where:
Base-Base interactions energy: -211.711
where: short stacking energy: -94.737
Base-Backbone interact. energy: 1.337
local terms energy: -99.829175
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -23.729
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: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -263.660103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.660103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.660103 (E_RNA)
where:
Base-Base interactions energy: -156.059
where: short stacking energy: -90.274
Base-Backbone interact. energy: -0.530
local terms energy: -107.070924
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -15.325
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: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -248.338703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.338703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.338703 (E_RNA)
where:
Base-Base interactions energy: -146.163
where: short stacking energy: -77.047
Base-Backbone interact. energy: -0.099
local terms energy: -102.076694
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -20.902
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: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -130.341926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.341926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.341926 (E_RNA)
where:
Base-Base interactions energy: -43.651
where: short stacking energy: -41.572
Base-Backbone interact. energy: -0.248
local terms energy: -86.443051
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -18.091
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: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -235.185876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.185876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.185876 (E_RNA)
where:
Base-Base interactions energy: -140.022
where: short stacking energy: -69.424
Base-Backbone interact. energy: 0.751
local terms energy: -95.914306
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -14.893
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: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -120.990185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.990185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.990185 (E_RNA)
where:
Base-Base interactions energy: -42.801
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.189
local terms energy: -77.999475
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -13.390
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: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -189.090779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.090779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.090779 (E_RNA)
where:
Base-Base interactions energy: -104.426
where: short stacking energy: -50.900
Base-Backbone interact. energy: -0.097
local terms energy: -84.567584
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -9.391
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: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -356.920439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.920439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.920439 (E_RNA)
where:
Base-Base interactions energy: -237.125
where: short stacking energy: -103.794
Base-Backbone interact. energy: -0.113
local terms energy: -119.682670
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -27.639
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -33.838
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: 40
Temperature: 0.950000
Total energy: -327.348442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.348442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.348442 (E_RNA)
where:
Base-Base interactions energy: -210.181
where: short stacking energy: -99.977
Base-Backbone interact. energy: -0.057
local terms energy: -117.109799
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -24.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -302.999463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.999463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.999463 (E_RNA)
where:
Base-Base interactions energy: -196.464
where: short stacking energy: -84.589
Base-Backbone interact. energy: -0.485
local terms energy: -106.050024
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -316.530625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.530625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.530625 (E_RNA)
where:
Base-Base interactions energy: -200.523
where: short stacking energy: -96.890
Base-Backbone interact. energy: -0.010
local terms energy: -115.998018
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -269.102053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.102053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.102053 (E_RNA)
where:
Base-Base interactions energy: -162.945
where: short stacking energy: -91.498
Base-Backbone interact. energy: 0.255
local terms energy: -106.412382
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -26.324
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -245.320176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.320176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.320176 (E_RNA)
where:
Base-Base interactions energy: -146.905
where: short stacking energy: -75.339
Base-Backbone interact. energy: 2.759
local terms energy: -101.174591
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -19.137
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: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -237.677067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.677067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.677067 (E_RNA)
where:
Base-Base interactions energy: -146.426
where: short stacking energy: -65.430
Base-Backbone interact. energy: -0.050
local terms energy: -91.201153
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -15.925
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: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -120.319497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.319497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.319497 (E_RNA)
where:
Base-Base interactions energy: -41.434
where: short stacking energy: -39.302
Base-Backbone interact. energy: 0.810
local terms energy: -79.695484
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -211.010478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.010478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.010478 (E_RNA)
where:
Base-Base interactions energy: -119.917
where: short stacking energy: -60.555
Base-Backbone interact. energy: -0.125
local terms energy: -90.968376
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -105.258321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.258321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.258321 (E_RNA)
where:
Base-Base interactions energy: -36.073
where: short stacking energy: -36.073
Base-Backbone interact. energy: 0.721
local terms energy: -69.906090
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -3.649
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: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -348.866872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.866872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.866872 (E_RNA)
where:
Base-Base interactions energy: -224.730
where: short stacking energy: -111.394
Base-Backbone interact. energy: -1.071
local terms energy: -123.066077
where:
bonds (distance) C4'-P energy: -24.965
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -31.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -321.173584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.173584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.173584 (E_RNA)
where:
Base-Base interactions energy: -206.606
where: short stacking energy: -106.021
Base-Backbone interact. energy: -0.132
local terms energy: -114.435523
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -30.533
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: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -308.564978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.564978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.564978 (E_RNA)
where:
Base-Base interactions energy: -192.289
where: short stacking energy: -97.346
Base-Backbone interact. energy: -1.008
local terms energy: -115.267636
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -31.900
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: 41
Temperature: 1.050000
Total energy: -301.913051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.913051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.913051 (E_RNA)
where:
Base-Base interactions energy: -185.345
where: short stacking energy: -90.027
Base-Backbone interact. energy: -0.173
local terms energy: -116.394892
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -28.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -256.552869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.552869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.552869 (E_RNA)
where:
Base-Base interactions energy: -155.356
where: short stacking energy: -87.825
Base-Backbone interact. energy: -0.488
local terms energy: -100.708361
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -229.470941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.470941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.470941 (E_RNA)
where:
Base-Base interactions energy: -134.110
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.675
local terms energy: -94.686208
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -15.460
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: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -217.576997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.576997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.576997 (E_RNA)
where:
Base-Base interactions energy: -137.002
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.459
local terms energy: -80.116117
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -222.008984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.008984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.008984 (E_RNA)
where:
Base-Base interactions energy: -127.276
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.729
local terms energy: -94.004024
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -134.273474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.273474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.273474 (E_RNA)
where:
Base-Base interactions energy: -59.340
where: short stacking energy: -42.576
Base-Backbone interact. energy: 0.905
local terms energy: -75.838140
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -3.936
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: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -105.408879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.408879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.408879 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.096
local terms energy: -70.687093
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -355.106197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.106197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.106197 (E_RNA)
where:
Base-Base interactions energy: -234.657
where: short stacking energy: -110.096
Base-Backbone interact. energy: -0.128
local terms energy: -120.321134
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -34.429
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: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -334.148895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.148895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.148895 (E_RNA)
where:
Base-Base interactions energy: -221.347
where: short stacking energy: -100.043
Base-Backbone interact. energy: -0.026
local terms energy: -112.776678
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -27.783
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: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -320.960825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.960825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.960825 (E_RNA)
where:
Base-Base interactions energy: -202.783
where: short stacking energy: -103.770
Base-Backbone interact. energy: -0.100
local terms energy: -118.077308
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -29.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -314.907707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.907707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.907707 (E_RNA)
where:
Base-Base interactions energy: -208.303
where: short stacking energy: -94.316
Base-Backbone interact. energy: -0.536
local terms energy: -106.068147
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -23.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -250.914611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.914611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.914611 (E_RNA)
where:
Base-Base interactions energy: -168.261
where: short stacking energy: -70.833
Base-Backbone interact. energy: 0.675
local terms energy: -83.327770
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -14.679
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: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -246.854786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.854786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.854786 (E_RNA)
where:
Base-Base interactions energy: -144.692
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.188
local terms energy: -101.974092
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -14.217
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: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -238.628808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.628808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.628808 (E_RNA)
where:
Base-Base interactions energy: -144.842
where: short stacking energy: -70.276
Base-Backbone interact. energy: -0.255
local terms energy: -93.531047
where:
bonds (distance) C4'-P energy: -25.536
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -218.905005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.905005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.905005 (E_RNA)
where:
Base-Base interactions energy: -132.068
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.728
local terms energy: -86.108229
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -5.879
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: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -113.447046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.447046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.447046 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -44.257
Base-Backbone interact. energy: -0.446
local terms energy: -63.831890
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -102.947639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.947639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.947639 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -31.267
Base-Backbone interact. energy: 0.139
local terms energy: -66.789945
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -3.194
tors. eta vs tors. theta energy: 3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -360.968390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.968390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.968390 (E_RNA)
where:
Base-Base interactions energy: -235.502
where: short stacking energy: -113.793
Base-Backbone interact. energy: -0.127
local terms energy: -125.339480
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -35.327
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: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -328.878824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.878824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.878824 (E_RNA)
where:
Base-Base interactions energy: -209.946
where: short stacking energy: -110.054
Base-Backbone interact. energy: -1.143
local terms energy: -117.789694
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -30.298
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: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -327.429778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.429778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.429778 (E_RNA)
where:
Base-Base interactions energy: -217.417
where: short stacking energy: -97.060
Base-Backbone interact. energy: -0.756
local terms energy: -109.257249
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -27.674
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -284.117831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.117831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.117831 (E_RNA)
where:
Base-Base interactions energy: -179.440
where: short stacking energy: -90.173
Base-Backbone interact. energy: -0.582
local terms energy: -104.095580
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -24.868
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: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -252.238490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.238490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.238490 (E_RNA)
where:
Base-Base interactions energy: -158.098
where: short stacking energy: -76.241
Base-Backbone interact. energy: -0.017
local terms energy: -94.123917
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -245.242105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.242105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.242105 (E_RNA)
where:
Base-Base interactions energy: -151.358
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.093
local terms energy: -93.791462
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -234.678549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.678549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.678549 (E_RNA)
where:
Base-Base interactions energy: -136.997
where: short stacking energy: -72.050
Base-Backbone interact. energy: 4.347
local terms energy: -102.028325
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -18.204
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: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -213.709939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.709939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.709939 (E_RNA)
where:
Base-Base interactions energy: -125.640
where: short stacking energy: -57.959
Base-Backbone interact. energy: 1.836
local terms energy: -89.905652
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -117.572371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.572371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.572371 (E_RNA)
where:
Base-Base interactions energy: -40.100
where: short stacking energy: -39.895
Base-Backbone interact. energy: 0.281
local terms energy: -77.752703
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -121.338212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.338212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.338212 (E_RNA)
where:
Base-Base interactions energy: -53.882
where: short stacking energy: -40.665
Base-Backbone interact. energy: -0.370
local terms energy: -67.085333
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -329.247825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.247825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.247825 (E_RNA)
where:
Base-Base interactions energy: -213.925
where: short stacking energy: -107.535
Base-Backbone interact. energy: -0.095
local terms energy: -115.228027
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -33.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -351.192998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.192998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.192998 (E_RNA)
where:
Base-Base interactions energy: -227.799
where: short stacking energy: -103.069
Base-Backbone interact. energy: -0.034
local terms energy: -123.360498
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -32.851
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: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -320.728110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.728110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.728110 (E_RNA)
where:
Base-Base interactions energy: -206.804
where: short stacking energy: -94.711
Base-Backbone interact. energy: -0.102
local terms energy: -113.822725
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -23.788
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: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -290.326465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.326465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.326465 (E_RNA)
where:
Base-Base interactions energy: -184.869
where: short stacking energy: -78.841
Base-Backbone interact. energy: -0.236
local terms energy: -105.221999
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -249.953316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.953316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.953316 (E_RNA)
where:
Base-Base interactions energy: -154.703
where: short stacking energy: -87.346
Base-Backbone interact. energy: 1.368
local terms energy: -96.618152
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -19.572
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: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -255.499580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.499580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.499580 (E_RNA)
where:
Base-Base interactions energy: -158.186
where: short stacking energy: -82.612
Base-Backbone interact. energy: -0.261
local terms energy: -97.051930
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -11.258
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: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -237.543926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.543926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.543926 (E_RNA)
where:
Base-Base interactions energy: -137.688
where: short stacking energy: -65.144
Base-Backbone interact. energy: -0.004
local terms energy: -99.851791
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -22.448
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: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -198.863733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.863733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.863733 (E_RNA)
where:
Base-Base interactions energy: -109.242
where: short stacking energy: -58.192
Base-Backbone interact. energy: 0.796
local terms energy: -90.418224
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -109.962082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.962082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.962082 (E_RNA)
where:
Base-Base interactions energy: -33.364
where: short stacking energy: -33.364
Base-Backbone interact. energy: -0.319
local terms energy: -76.279177
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -0.633
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: 44
Temperature: 1.350000
Total energy: -104.128044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.128044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.128044 (E_RNA)
where:
Base-Base interactions energy: -32.307
where: short stacking energy: -32.307
Base-Backbone interact. energy: -0.315
local terms energy: -71.506480
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -328.741827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.741827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.741827 (E_RNA)
where:
Base-Base interactions energy: -204.892
where: short stacking energy: -111.101
Base-Backbone interact. energy: -0.118
local terms energy: -123.731854
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -31.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -353.276782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.276782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.276782 (E_RNA)
where:
Base-Base interactions energy: -227.972
where: short stacking energy: -105.536
Base-Backbone interact. energy: -0.044
local terms energy: -125.260978
where:
bonds (distance) C4'-P energy: -26.435
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -31.681
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: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -333.870747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.870747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.870747 (E_RNA)
where:
Base-Base interactions energy: -217.386
where: short stacking energy: -108.795
Base-Backbone interact. energy: -0.025
local terms energy: -116.460102
where:
bonds (distance) C4'-P energy: -24.629
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -35.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -303.414509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.414509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.414509 (E_RNA)
where:
Base-Base interactions energy: -193.997
where: short stacking energy: -89.125
Base-Backbone interact. energy: -0.321
local terms energy: -109.096405
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -25.929
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: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -249.511595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.511595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.511595 (E_RNA)
where:
Base-Base interactions energy: -147.493
where: short stacking energy: -68.914
Base-Backbone interact. energy: -0.175
local terms energy: -101.843244
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -19.956
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: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -223.546816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.546816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.546816 (E_RNA)
where:
Base-Base interactions energy: -133.343
where: short stacking energy: -65.298
Base-Backbone interact. energy: -0.171
local terms energy: -90.032421
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -9.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -254.294503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.294503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.294503 (E_RNA)
where:
Base-Base interactions energy: -157.264
where: short stacking energy: -85.655
Base-Backbone interact. energy: -0.116
local terms energy: -96.913803
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -232.550225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.550225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.550225 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -67.010
Base-Backbone interact. energy: 0.856
local terms energy: -87.897887
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -8.661
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: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -108.667370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.667370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.667370 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -30.267
Base-Backbone interact. energy: -0.696
local terms energy: -76.684683
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -14.304
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: 45
Temperature: 1.350000
Total energy: -120.692891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.692891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.692891 (E_RNA)
where:
Base-Base interactions energy: -50.680
where: short stacking energy: -36.999
Base-Backbone interact. energy: -1.352
local terms energy: -68.660850
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -337.673655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.673655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.673655 (E_RNA)
where:
Base-Base interactions energy: -216.413
where: short stacking energy: -112.574
Base-Backbone interact. energy: -0.001
local terms energy: -121.260311
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -31.586
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: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -343.952587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.952587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.952587 (E_RNA)
where:
Base-Base interactions energy: -218.468
where: short stacking energy: -103.353
Base-Backbone interact. energy: -0.010
local terms energy: -125.474760
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -26.826
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -32.502
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: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -333.763492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.763492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.763492 (E_RNA)
where:
Base-Base interactions energy: -216.050
where: short stacking energy: -103.388
Base-Backbone interact. energy: -0.048
local terms energy: -117.664898
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -32.280
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: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -298.967431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.967431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.967431 (E_RNA)
where:
Base-Base interactions energy: -196.524
where: short stacking energy: -96.775
Base-Backbone interact. energy: -0.349
local terms energy: -102.094694
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -31.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -247.508449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.508449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.508449 (E_RNA)
where:
Base-Base interactions energy: -146.230
where: short stacking energy: -80.074
Base-Backbone interact. energy: -0.101
local terms energy: -101.176734
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -23.697
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: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -251.783504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.783504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.783504 (E_RNA)
where:
Base-Base interactions energy: -155.662
where: short stacking energy: -83.985
Base-Backbone interact. energy: -0.315
local terms energy: -95.806918
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -237.397567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.397567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.397567 (E_RNA)
where:
Base-Base interactions energy: -142.104
where: short stacking energy: -72.806
Base-Backbone interact. energy: -0.073
local terms energy: -95.220871
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -25.149
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -10.302
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: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -233.002352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.002352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.002352 (E_RNA)
where:
Base-Base interactions energy: -137.419
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.225
local terms energy: -95.357563
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -121.888741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.888741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.888741 (E_RNA)
where:
Base-Base interactions energy: -41.866
where: short stacking energy: -32.621
Base-Backbone interact. energy: -0.689
local terms energy: -79.334520
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -7.429
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: 46
Temperature: 1.350000
Total energy: -104.694090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.694090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.694090 (E_RNA)
where:
Base-Base interactions energy: -34.761
where: short stacking energy: -24.537
Base-Backbone interact. energy: -0.347
local terms energy: -69.586223
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: 2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -326.097785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.097785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.097785 (E_RNA)
where:
Base-Base interactions energy: -206.045
where: short stacking energy: -105.823
Base-Backbone interact. energy: -0.409
local terms energy: -119.643693
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -35.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -329.887891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.887891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.887891 (E_RNA)
where:
Base-Base interactions energy: -213.639
where: short stacking energy: -95.998
Base-Backbone interact. energy: -0.103
local terms energy: -116.145608
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -30.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -336.238265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.238265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.238265 (E_RNA)
where:
Base-Base interactions energy: -223.043
where: short stacking energy: -104.787
Base-Backbone interact. energy: -0.045
local terms energy: -113.150464
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -28.226
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: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -315.399848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.399848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.399848 (E_RNA)
where:
Base-Base interactions energy: -202.507
where: short stacking energy: -96.357
Base-Backbone interact. energy: -0.337
local terms energy: -112.555913
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -32.461
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: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -270.035652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.035652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.035652 (E_RNA)
where:
Base-Base interactions energy: -155.651
where: short stacking energy: -84.037
Base-Backbone interact. energy: -0.104
local terms energy: -114.281214
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -234.942717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.942717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.942717 (E_RNA)
where:
Base-Base interactions energy: -146.801
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.627
local terms energy: -87.515072
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -227.497028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.497028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.497028 (E_RNA)
where:
Base-Base interactions energy: -131.959
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.097
local terms energy: -95.441871
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -220.712724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.712724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.712724 (E_RNA)
where:
Base-Base interactions energy: -126.745
where: short stacking energy: -57.995
Base-Backbone interact. energy: -0.171
local terms energy: -93.797469
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -11.801
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: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -112.241907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.241907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.241907 (E_RNA)
where:
Base-Base interactions energy: -41.012
where: short stacking energy: -31.764
Base-Backbone interact. energy: -0.200
local terms energy: -71.030009
where:
bonds (distance) C4'-P energy: -25.947
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: 4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -110.421800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.421800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.421800 (E_RNA)
where:
Base-Base interactions energy: -41.007
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.304
local terms energy: -69.110869
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: 1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -336.063125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.063125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.063125 (E_RNA)
where:
Base-Base interactions energy: -216.472
where: short stacking energy: -97.185
Base-Backbone interact. energy: 1.125
local terms energy: -120.716775
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -29.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -305.176901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.176901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.176901 (E_RNA)
where:
Base-Base interactions energy: -190.679
where: short stacking energy: -97.281
Base-Backbone interact. energy: -0.042
local terms energy: -114.456018
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -28.119
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -314.570185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.570185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.570185 (E_RNA)
where:
Base-Base interactions energy: -206.277
where: short stacking energy: -92.800
Base-Backbone interact. energy: -0.190
local terms energy: -108.103519
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -30.195
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: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -321.618805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.618805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.618805 (E_RNA)
where:
Base-Base interactions energy: -215.676
where: short stacking energy: -95.357
Base-Backbone interact. energy: -0.143
local terms energy: -105.799730
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -24.596
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: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -253.901440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.901440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.901440 (E_RNA)
where:
Base-Base interactions energy: -148.324
where: short stacking energy: -68.362
Base-Backbone interact. energy: 0.777
local terms energy: -106.354905
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -16.961
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: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -241.532504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.532504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.532504 (E_RNA)
where:
Base-Base interactions energy: -143.101
where: short stacking energy: -75.851
Base-Backbone interact. energy: -0.576
local terms energy: -97.855213
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -22.855
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: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -247.996645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.996645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.996645 (E_RNA)
where:
Base-Base interactions energy: -147.438
where: short stacking energy: -75.473
Base-Backbone interact. energy: -0.098
local terms energy: -100.460858
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -13.781
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: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -218.180801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.180801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.180801 (E_RNA)
where:
Base-Base interactions energy: -135.344
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.139
local terms energy: -82.697928
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -18.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -122.847676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.847676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.847676 (E_RNA)
where:
Base-Base interactions energy: -56.691
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.540
local terms energy: -65.616589
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -117.175765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.175765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.175765 (E_RNA)
where:
Base-Base interactions energy: -53.197
where: short stacking energy: -31.695
Base-Backbone interact. energy: 2.020
local terms energy: -65.998594
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -2.836
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -350.064107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.064107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.064107 (E_RNA)
where:
Base-Base interactions energy: -227.561
where: short stacking energy: -105.151
Base-Backbone interact. energy: -0.007
local terms energy: -122.496544
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -311.021044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.021044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.021044 (E_RNA)
where:
Base-Base interactions energy: -200.109
where: short stacking energy: -95.879
Base-Backbone interact. energy: -0.153
local terms energy: -110.758519
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -28.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -308.138007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.138007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.138007 (E_RNA)
where:
Base-Base interactions energy: -198.783
where: short stacking energy: -94.438
Base-Backbone interact. energy: -0.196
local terms energy: -109.158985
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -319.101692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.101692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.101692 (E_RNA)
where:
Base-Base interactions energy: -205.396
where: short stacking energy: -84.829
Base-Backbone interact. energy: -0.248
local terms energy: -113.456835
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -28.811
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: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -247.721293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.721293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.721293 (E_RNA)
where:
Base-Base interactions energy: -144.341
where: short stacking energy: -74.250
Base-Backbone interact. energy: 0.519
local terms energy: -103.899830
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -24.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -264.464525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.464525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.464525 (E_RNA)
where:
Base-Base interactions energy: -162.055
where: short stacking energy: -88.465
Base-Backbone interact. energy: -0.177
local terms energy: -102.231845
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -222.780371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.780371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.780371 (E_RNA)
where:
Base-Base interactions energy: -127.644
where: short stacking energy: -63.139
Base-Backbone interact. energy: 0.173
local terms energy: -95.309728
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -224.394242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.394242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.394242 (E_RNA)
where:
Base-Base interactions energy: -129.998
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.096
local terms energy: -94.300775
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -120.262719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.262719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.262719 (E_RNA)
where:
Base-Base interactions energy: -49.795
where: short stacking energy: -39.276
Base-Backbone interact. energy: 1.410
local terms energy: -71.877437
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: 1.945
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: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -104.455151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.455151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.455151 (E_RNA)
where:
Base-Base interactions energy: -32.760
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.240
local terms energy: -71.454762
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -341.640511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.640511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.640511 (E_RNA)
where:
Base-Base interactions energy: -214.663
where: short stacking energy: -104.936
Base-Backbone interact. energy: -0.008
local terms energy: -126.968962
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -33.406
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -344.408744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.408744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.408744 (E_RNA)
where:
Base-Base interactions energy: -223.556
where: short stacking energy: -101.726
Base-Backbone interact. energy: -0.493
local terms energy: -120.359752
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -26.343
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -30.865
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: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -306.181006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.181006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.181006 (E_RNA)
where:
Base-Base interactions energy: -214.370
where: short stacking energy: -98.554
Base-Backbone interact. energy: 0.816
local terms energy: -92.627521
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -1.874
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -314.895654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.895654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.895654 (E_RNA)
where:
Base-Base interactions energy: -208.740
where: short stacking energy: -89.151
Base-Backbone interact. energy: -0.280
local terms energy: -105.875878
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -25.312
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: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -256.814928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.814928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.814928 (E_RNA)
where:
Base-Base interactions energy: -159.603
where: short stacking energy: -82.331
Base-Backbone interact. energy: -0.043
local terms energy: -97.169159
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -17.843
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: 50
Temperature: 1.150000
Total energy: -253.615795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.615795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.615795 (E_RNA)
where:
Base-Base interactions energy: -150.133
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.107
local terms energy: -103.376153
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -25.371
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -224.453456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.453456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.453456 (E_RNA)
where:
Base-Base interactions energy: -139.552
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.536
local terms energy: -84.365855
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -217.380414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.380414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.380414 (E_RNA)
where:
Base-Base interactions energy: -140.052
where: short stacking energy: -67.228
Base-Backbone interact. energy: 0.139
local terms energy: -77.467424
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -10.184
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: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -115.209051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.209051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.209051 (E_RNA)
where:
Base-Base interactions energy: -48.956
where: short stacking energy: -43.316
Base-Backbone interact. energy: -0.528
local terms energy: -65.724986
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -103.049169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.049169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.049169 (E_RNA)
where:
Base-Base interactions energy: -27.833
where: short stacking energy: -25.855
Base-Backbone interact. energy: 0.485
local terms energy: -75.701573
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: 4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -329.255598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.255598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.255598 (E_RNA)
where:
Base-Base interactions energy: -208.965
where: short stacking energy: -107.782
Base-Backbone interact. energy: 0.037
local terms energy: -120.326875
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -326.373376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.373376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.373376 (E_RNA)
where:
Base-Base interactions energy: -209.233
where: short stacking energy: -100.660
Base-Backbone interact. energy: -0.290
local terms energy: -116.850297
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -32.916
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: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -301.857514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.857514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.857514 (E_RNA)
where:
Base-Base interactions energy: -189.073
where: short stacking energy: -97.228
Base-Backbone interact. energy: -0.164
local terms energy: -112.620528
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -30.121
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: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -298.289901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.289901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.289901 (E_RNA)
where:
Base-Base interactions energy: -200.553
where: short stacking energy: -91.898
Base-Backbone interact. energy: -0.185
local terms energy: -97.552063
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -262.063711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.063711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.063711 (E_RNA)
where:
Base-Base interactions energy: -159.975
where: short stacking energy: -73.415
Base-Backbone interact. energy: -0.022
local terms energy: -102.066524
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -13.852
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: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -253.436022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.436022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.436022 (E_RNA)
where:
Base-Base interactions energy: -162.108
where: short stacking energy: -77.344
Base-Backbone interact. energy: 0.962
local terms energy: -92.290412
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -18.816
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: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -243.996374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.996374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.996374 (E_RNA)
where:
Base-Base interactions energy: -157.558
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.120
local terms energy: -86.318749
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -202.483467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.483467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.483467 (E_RNA)
where:
Base-Base interactions energy: -113.842
where: short stacking energy: -46.108
Base-Backbone interact. energy: 0.460
local terms energy: -89.101910
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -109.075333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.075333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.075333 (E_RNA)
where:
Base-Base interactions energy: -37.605
where: short stacking energy: -31.852
Base-Backbone interact. energy: 1.104
local terms energy: -72.574879
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -98.843682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.843682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.843682 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -36.050
Base-Backbone interact. energy: -0.367
local terms energy: -61.385296
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -5.179
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: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -316.539798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.539798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.539798 (E_RNA)
where:
Base-Base interactions energy: -209.329
where: short stacking energy: -109.737
Base-Backbone interact. energy: -0.669
local terms energy: -106.541799
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -27.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -330.771806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.771806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.771806 (E_RNA)
where:
Base-Base interactions energy: -216.689
where: short stacking energy: -105.397
Base-Backbone interact. energy: -0.559
local terms energy: -113.524058
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -33.246
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: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -308.298487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.298487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.298487 (E_RNA)
where:
Base-Base interactions energy: -196.023
where: short stacking energy: -103.580
Base-Backbone interact. energy: 0.164
local terms energy: -112.439473
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -23.788
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: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -271.997435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.997435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.997435 (E_RNA)
where:
Base-Base interactions energy: -175.297
where: short stacking energy: -90.972
Base-Backbone interact. energy: 1.801
local terms energy: -98.501189
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -22.678
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: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -242.299260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.299260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.299260 (E_RNA)
where:
Base-Base interactions energy: -141.214
where: short stacking energy: -66.648
Base-Backbone interact. energy: -1.049
local terms energy: -100.036163
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -26.138
flat angles P-C4'-P energy: -16.755
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: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -240.462071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.462071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.462071 (E_RNA)
where:
Base-Base interactions energy: -145.074
where: short stacking energy: -75.503
Base-Backbone interact. energy: -0.233
local terms energy: -95.155989
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -22.131
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -230.866549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.866549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.866549 (E_RNA)
where:
Base-Base interactions energy: -145.576
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.090
local terms energy: -85.200690
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -13.855
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: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -228.810983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.810983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.810983 (E_RNA)
where:
Base-Base interactions energy: -133.261
where: short stacking energy: -67.838
Base-Backbone interact. energy: -0.254
local terms energy: -95.296166
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -109.126034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.126034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.126034 (E_RNA)
where:
Base-Base interactions energy: -45.478
where: short stacking energy: -41.215
Base-Backbone interact. energy: 2.715
local terms energy: -66.363350
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -12.129
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: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -113.934818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.934818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.934818 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -30.319
Base-Backbone interact. energy: 0.787
local terms energy: -70.957612
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -2.254
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: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -334.246761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.246761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.246761 (E_RNA)
where:
Base-Base interactions energy: -209.543
where: short stacking energy: -108.092
Base-Backbone interact. energy: -0.284
local terms energy: -124.419330
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -31.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -318.962797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.962797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.962797 (E_RNA)
where:
Base-Base interactions energy: -210.453
where: short stacking energy: -104.945
Base-Backbone interact. energy: 0.281
local terms energy: -108.790503
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -23.501
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: 53
Temperature: 1.000000
Total energy: -326.397006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.397006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.397006 (E_RNA)
where:
Base-Base interactions energy: -215.064
where: short stacking energy: -94.743
Base-Backbone interact. energy: -0.041
local terms energy: -111.291539
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -290.371738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.371738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.371738 (E_RNA)
where:
Base-Base interactions energy: -191.722
where: short stacking energy: -97.285
Base-Backbone interact. energy: -0.079
local terms energy: -98.571404
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -26.285
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -259.058802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.058802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.058802 (E_RNA)
where:
Base-Base interactions energy: -158.074
where: short stacking energy: -86.757
Base-Backbone interact. energy: -0.037
local terms energy: -100.947675
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -241.592801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.592801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.592801 (E_RNA)
where:
Base-Base interactions energy: -144.924
where: short stacking energy: -73.059
Base-Backbone interact. energy: 0.762
local terms energy: -97.430953
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -13.731
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: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -229.591521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.591521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.591521 (E_RNA)
where:
Base-Base interactions energy: -143.982
where: short stacking energy: -81.728
Base-Backbone interact. energy: 0.088
local terms energy: -85.697828
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -220.733868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.733868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.733868 (E_RNA)
where:
Base-Base interactions energy: -131.621
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.063
local terms energy: -89.049839
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -22.088
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: 53
Temperature: 1.300000
Total energy: -116.183708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.183708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.183708 (E_RNA)
where:
Base-Base interactions energy: -42.203
where: short stacking energy: -31.027
Base-Backbone interact. energy: 1.882
local terms energy: -75.863112
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -106.987803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.987803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.987803 (E_RNA)
where:
Base-Base interactions energy: -21.830
where: short stacking energy: -21.485
Base-Backbone interact. energy: -0.189
local terms energy: -84.968885
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: 0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -326.752224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.752224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.752224 (E_RNA)
where:
Base-Base interactions energy: -209.741
where: short stacking energy: -105.521
Base-Backbone interact. energy: -0.002
local terms energy: -117.009690
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -26.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -323.191388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.191388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.191388 (E_RNA)
where:
Base-Base interactions energy: -215.486
where: short stacking energy: -97.673
Base-Backbone interact. energy: 0.794
local terms energy: -108.498705
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -27.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -334.201588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.201588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.201588 (E_RNA)
where:
Base-Base interactions energy: -217.647
where: short stacking energy: -103.712
Base-Backbone interact. energy: -0.351
local terms energy: -116.202871
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -31.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -281.077233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.077233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.077233 (E_RNA)
where:
Base-Base interactions energy: -181.840
where: short stacking energy: -80.654
Base-Backbone interact. energy: 0.426
local terms energy: -99.662847
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -16.322
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: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -257.593082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.593082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.593082 (E_RNA)
where:
Base-Base interactions energy: -159.445
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.412
local terms energy: -97.735912
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -20.900
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: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -248.814825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.814825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.814825 (E_RNA)
where:
Base-Base interactions energy: -149.347
where: short stacking energy: -73.841
Base-Backbone interact. energy: -0.064
local terms energy: -99.403204
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -25.534
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: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -234.059047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.059047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.059047 (E_RNA)
where:
Base-Base interactions energy: -146.973
where: short stacking energy: -69.217
Base-Backbone interact. energy: -0.170
local terms energy: -86.916719
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -222.271681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.271681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.271681 (E_RNA)
where:
Base-Base interactions energy: -129.470
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.708
local terms energy: -92.093851
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -21.273
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: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -143.239994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.239994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.239994 (E_RNA)
where:
Base-Base interactions energy: -62.306
where: short stacking energy: -35.677
Base-Backbone interact. energy: -0.374
local terms energy: -80.560082
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -3.101
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: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -104.381348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.381348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.381348 (E_RNA)
where:
Base-Base interactions energy: -40.505
where: short stacking energy: -31.560
Base-Backbone interact. energy: 2.832
local terms energy: -66.708523
where:
bonds (distance) C4'-P energy: -25.136
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -327.011411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.011411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.011411 (E_RNA)
where:
Base-Base interactions energy: -207.413
where: short stacking energy: -100.361
Base-Backbone interact. energy: -0.199
local terms energy: -119.398549
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -28.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -313.620474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.620474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.620474 (E_RNA)
where:
Base-Base interactions energy: -204.666
where: short stacking energy: -98.671
Base-Backbone interact. energy: -0.159
local terms energy: -108.795707
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -28.834
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: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -339.360044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.360044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.360044 (E_RNA)
where:
Base-Base interactions energy: -217.783
where: short stacking energy: -91.835
Base-Backbone interact. energy: -0.880
local terms energy: -120.697237
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -34.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -269.417374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.417374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.417374 (E_RNA)
where:
Base-Base interactions energy: -175.919
where: short stacking energy: -92.442
Base-Backbone interact. energy: -0.026
local terms energy: -93.472270
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -267.741177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.741177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.741177 (E_RNA)
where:
Base-Base interactions energy: -170.161
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.075
local terms energy: -97.504718
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -23.256
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: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -257.199333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.199333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.199333 (E_RNA)
where:
Base-Base interactions energy: -155.852
where: short stacking energy: -79.155
Base-Backbone interact. energy: 5.443
local terms energy: -106.790061
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -23.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -234.663534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.663534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.663534 (E_RNA)
where:
Base-Base interactions energy: -144.678
where: short stacking energy: -74.381
Base-Backbone interact. energy: -0.286
local terms energy: -89.698635
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -13.834
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: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -225.968862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.968862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.968862 (E_RNA)
where:
Base-Base interactions energy: -127.805
where: short stacking energy: -64.200
Base-Backbone interact. energy: 1.162
local terms energy: -99.325046
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -150.974786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.974786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.974786 (E_RNA)
where:
Base-Base interactions energy: -77.140
where: short stacking energy: -45.903
Base-Backbone interact. energy: 0.781
local terms energy: -74.615142
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -7.107
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: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -103.206665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.206665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.206665 (E_RNA)
where:
Base-Base interactions energy: -30.818
where: short stacking energy: -25.694
Base-Backbone interact. energy: 0.633
local terms energy: -73.021913
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: 1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -331.013755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.013755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.013755 (E_RNA)
where:
Base-Base interactions energy: -220.095
where: short stacking energy: -106.468
Base-Backbone interact. energy: -0.681
local terms energy: -110.238307
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -26.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -320.020949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.020949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.020949 (E_RNA)
where:
Base-Base interactions energy: -216.718
where: short stacking energy: -98.578
Base-Backbone interact. energy: -1.412
local terms energy: -101.890935
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -24.574
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: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -345.520719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.520719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.520719 (E_RNA)
where:
Base-Base interactions energy: -230.594
where: short stacking energy: -100.420
Base-Backbone interact. energy: -0.380
local terms energy: -114.546686
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -23.771
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -31.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -267.963436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.963436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.963436 (E_RNA)
where:
Base-Base interactions energy: -172.249
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.077
local terms energy: -95.637077
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -11.278
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: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -274.863400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.863400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.863400 (E_RNA)
where:
Base-Base interactions energy: -174.942
where: short stacking energy: -82.762
Base-Backbone interact. energy: 0.057
local terms energy: -99.978214
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -14.267
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: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -269.569522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.569522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.569522 (E_RNA)
where:
Base-Base interactions energy: -172.919
where: short stacking energy: -83.027
Base-Backbone interact. energy: -0.645
local terms energy: -96.005823
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -15.245
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: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -241.461040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.461040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.461040 (E_RNA)
where:
Base-Base interactions energy: -144.694
where: short stacking energy: -59.272
Base-Backbone interact. energy: 3.483
local terms energy: -100.249833
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -228.016365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.016365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.016365 (E_RNA)
where:
Base-Base interactions energy: -129.151
where: short stacking energy: -69.946
Base-Backbone interact. energy: -0.116
local terms energy: -98.749110
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -13.193
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: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -177.590326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.590326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.590326 (E_RNA)
where:
Base-Base interactions energy: -105.310
where: short stacking energy: -60.112
Base-Backbone interact. energy: 3.493
local terms energy: -75.773508
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -110.493076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.493076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.493076 (E_RNA)
where:
Base-Base interactions energy: -39.286
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.408
local terms energy: -70.799116
where:
bonds (distance) C4'-P energy: -23.570
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: 2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -351.417529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.417529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.417529 (E_RNA)
where:
Base-Base interactions energy: -233.586
where: short stacking energy: -105.183
Base-Backbone interact. energy: -0.459
local terms energy: -117.372579
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -31.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -325.753741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.753741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.753741 (E_RNA)
where:
Base-Base interactions energy: -214.436
where: short stacking energy: -99.241
Base-Backbone interact. energy: -0.034
local terms energy: -111.283621
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -30.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -306.923213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.923213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.923213 (E_RNA)
where:
Base-Base interactions energy: -188.066
where: short stacking energy: -93.300
Base-Backbone interact. energy: -0.168
local terms energy: -118.688570
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -274.426944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.426944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.426944 (E_RNA)
where:
Base-Base interactions energy: -171.855
where: short stacking energy: -93.350
Base-Backbone interact. energy: -0.041
local terms energy: -102.531498
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -257.635888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.635888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.635888 (E_RNA)
where:
Base-Base interactions energy: -161.598
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.538
local terms energy: -95.500300
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -24.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -241.455387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.455387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.455387 (E_RNA)
where:
Base-Base interactions energy: -144.841
where: short stacking energy: -71.576
Base-Backbone interact. energy: -0.444
local terms energy: -96.170373
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -20.750
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: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -224.438794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.438794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.438794 (E_RNA)
where:
Base-Base interactions energy: -134.261
where: short stacking energy: -70.273
Base-Backbone interact. energy: -0.143
local terms energy: -90.035042
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -201.998680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.998680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.998680 (E_RNA)
where:
Base-Base interactions energy: -126.210
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.100
local terms energy: -75.688369
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -9.447
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: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -199.881974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.881974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.881974 (E_RNA)
where:
Base-Base interactions energy: -117.224
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.142
local terms energy: -82.515620
where:
bonds (distance) C4'-P energy: -24.175
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -11.336
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: 57
Temperature: 1.350000
Total energy: -114.458499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.458499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.458499 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -42.488
Base-Backbone interact. energy: 0.296
local terms energy: -71.754794
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -9.241
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: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -350.872597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.872597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.872597 (E_RNA)
where:
Base-Base interactions energy: -231.026
where: short stacking energy: -99.342
Base-Backbone interact. energy: -0.280
local terms energy: -119.566161
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -28.201
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: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -327.834682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.834682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.834682 (E_RNA)
where:
Base-Base interactions energy: -220.625
where: short stacking energy: -95.135
Base-Backbone interact. energy: -0.047
local terms energy: -107.163504
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -310.730418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.730418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.730418 (E_RNA)
where:
Base-Base interactions energy: -207.859
where: short stacking energy: -93.666
Base-Backbone interact. energy: 0.151
local terms energy: -103.022140
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -23.289
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: 58
Temperature: 1.050000
Total energy: -264.178010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.178010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.178010 (E_RNA)
where:
Base-Base interactions energy: -153.828
where: short stacking energy: -78.470
Base-Backbone interact. energy: -0.092
local terms energy: -110.257756
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -22.910
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: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -259.294034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.294034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.294034 (E_RNA)
where:
Base-Base interactions energy: -162.295
where: short stacking energy: -80.829
Base-Backbone interact. energy: -0.044
local terms energy: -96.954868
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -256.196695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.196695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.196695 (E_RNA)
where:
Base-Base interactions energy: -162.355
where: short stacking energy: -87.249
Base-Backbone interact. energy: -0.055
local terms energy: -93.786672
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -237.938993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.938993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.938993 (E_RNA)
where:
Base-Base interactions energy: -159.608
where: short stacking energy: -81.257
Base-Backbone interact. energy: -0.068
local terms energy: -78.262870
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -230.272600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.272600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.272600 (E_RNA)
where:
Base-Base interactions energy: -143.539
where: short stacking energy: -64.881
Base-Backbone interact. energy: -1.320
local terms energy: -85.413153
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -196.430050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.430050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.430050 (E_RNA)
where:
Base-Base interactions energy: -113.919
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.058
local terms energy: -82.452741
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -11.698
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: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -105.049813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.049813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.049813 (E_RNA)
where:
Base-Base interactions energy: -30.447
where: short stacking energy: -26.409
Base-Backbone interact. energy: -0.189
local terms energy: -74.413880
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -356.493795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.493795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.493795 (E_RNA)
where:
Base-Base interactions energy: -234.229
where: short stacking energy: -102.658
Base-Backbone interact. energy: -0.104
local terms energy: -122.161212
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -28.471
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: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -333.487340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.487340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.487340 (E_RNA)
where:
Base-Base interactions energy: -230.321
where: short stacking energy: -95.835
Base-Backbone interact. energy: -1.414
local terms energy: -101.752253
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -302.802786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.802786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.802786 (E_RNA)
where:
Base-Base interactions energy: -203.516
where: short stacking energy: -86.613
Base-Backbone interact. energy: -0.196
local terms energy: -99.090777
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -24.031
flat angles P-C4'-P energy: -13.642
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: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -273.770172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.770172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.770172 (E_RNA)
where:
Base-Base interactions energy: -177.301
where: short stacking energy: -84.373
Base-Backbone interact. energy: -0.337
local terms energy: -96.132046
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -255.927049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.927049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.927049 (E_RNA)
where:
Base-Base interactions energy: -167.410
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.511
local terms energy: -88.006572
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -231.050046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.050046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.050046 (E_RNA)
where:
Base-Base interactions energy: -142.091
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.020
local terms energy: -88.939114
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -16.084
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: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -228.086636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.086636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.086636 (E_RNA)
where:
Base-Base interactions energy: -132.632
where: short stacking energy: -63.498
Base-Backbone interact. energy: 1.044
local terms energy: -96.498143
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -200.073486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.073486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.073486 (E_RNA)
where:
Base-Base interactions energy: -111.956
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.237
local terms energy: -87.880933
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -207.880993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.880993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.880993 (E_RNA)
where:
Base-Base interactions energy: -116.816
where: short stacking energy: -53.108
Base-Backbone interact. energy: 0.020
local terms energy: -91.085593
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -23.739
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -101.519935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.519935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.519935 (E_RNA)
where:
Base-Base interactions energy: -33.096
where: short stacking energy: -31.869
Base-Backbone interact. energy: -0.305
local terms energy: -68.119567
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -2.821
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: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -354.332408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.332408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.332408 (E_RNA)
where:
Base-Base interactions energy: -232.503
where: short stacking energy: -101.074
Base-Backbone interact. energy: -0.160
local terms energy: -121.669469
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -335.509623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.509623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.509623 (E_RNA)
where:
Base-Base interactions energy: -219.195
where: short stacking energy: -88.695
Base-Backbone interact. energy: -0.183
local terms energy: -116.131465
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -25.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -319.367650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.367650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.367650 (E_RNA)
where:
Base-Base interactions energy: -203.950
where: short stacking energy: -101.095
Base-Backbone interact. energy: -0.119
local terms energy: -115.299311
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -28.365
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: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -266.238253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.238253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.238253 (E_RNA)
where:
Base-Base interactions energy: -167.047
where: short stacking energy: -81.935
Base-Backbone interact. energy: -0.127
local terms energy: -99.064795
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -25.546
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: 60
Temperature: 1.100000
Total energy: -238.589897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.589897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.589897 (E_RNA)
where:
Base-Base interactions energy: -145.874
where: short stacking energy: -72.764
Base-Backbone interact. energy: -1.368
local terms energy: -91.348027
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -245.593863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.593863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.593863 (E_RNA)
where:
Base-Base interactions energy: -146.329
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.007
local terms energy: -99.257770
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -198.045854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.045854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.045854 (E_RNA)
where:
Base-Base interactions energy: -110.007
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.299
local terms energy: -87.739692
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -17.397
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: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -228.312847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.312847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.312847 (E_RNA)
where:
Base-Base interactions energy: -141.741
where: short stacking energy: -70.412
Base-Backbone interact. energy: -0.250
local terms energy: -86.321953
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -7.601
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: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -194.505084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.505084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.505084 (E_RNA)
where:
Base-Base interactions energy: -109.770
where: short stacking energy: -43.718
Base-Backbone interact. energy: -0.305
local terms energy: -84.429713
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -120.899567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.899567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.899567 (E_RNA)
where:
Base-Base interactions energy: -45.493
where: short stacking energy: -45.493
Base-Backbone interact. energy: 0.621
local terms energy: -76.028197
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -8.028
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: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -348.695580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.695580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.695580 (E_RNA)
where:
Base-Base interactions energy: -232.458
where: short stacking energy: -105.281
Base-Backbone interact. energy: -0.493
local terms energy: -115.745377
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -29.806
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: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -334.761156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.761156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.761156 (E_RNA)
where:
Base-Base interactions energy: -224.801
where: short stacking energy: -92.952
Base-Backbone interact. energy: -0.107
local terms energy: -109.852736
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -27.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -315.954998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.954998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.954998 (E_RNA)
where:
Base-Base interactions energy: -214.409
where: short stacking energy: -93.028
Base-Backbone interact. energy: -0.585
local terms energy: -100.961048
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -25.307
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: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -260.246424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.246424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.246424 (E_RNA)
where:
Base-Base interactions energy: -160.204
where: short stacking energy: -81.944
Base-Backbone interact. energy: -0.371
local terms energy: -99.671559
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -248.263655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.263655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.263655 (E_RNA)
where:
Base-Base interactions energy: -156.586
where: short stacking energy: -78.556
Base-Backbone interact. energy: -0.514
local terms energy: -91.163518
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -227.028680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.028680 (E_RNA)
where:
Base-Base interactions energy: -142.086
where: short stacking energy: -72.889
Base-Backbone interact. energy: 0.881
local terms energy: -85.823488
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -213.093592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.093592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.093592 (E_RNA)
where:
Base-Base interactions energy: -131.757
where: short stacking energy: -59.658
Base-Backbone interact. energy: -1.138
local terms energy: -80.198842
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -232.348977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.348977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.348977 (E_RNA)
where:
Base-Base interactions energy: -137.229
where: short stacking energy: -65.353
Base-Backbone interact. energy: 2.885
local terms energy: -98.005080
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -18.055
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: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -186.994626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.994626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.994626 (E_RNA)
where:
Base-Base interactions energy: -106.671
where: short stacking energy: -54.499
Base-Backbone interact. energy: -0.275
local terms energy: -80.048982
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -4.437
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: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -106.618029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.618029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.618029 (E_RNA)
where:
Base-Base interactions energy: -37.968
where: short stacking energy: -26.666
Base-Backbone interact. energy: 0.924
local terms energy: -69.574392
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: 1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -351.747786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.747786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.747786 (E_RNA)
where:
Base-Base interactions energy: -240.645
where: short stacking energy: -102.973
Base-Backbone interact. energy: -0.989
local terms energy: -110.113507
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -24.978
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -24.332
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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -354.385942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.385942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.385942 (E_RNA)
where:
Base-Base interactions energy: -229.564
where: short stacking energy: -102.254
Base-Backbone interact. energy: -0.002
local terms energy: -124.820275
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -30.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -308.380098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.380098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.380098 (E_RNA)
where:
Base-Base interactions energy: -192.176
where: short stacking energy: -99.078
Base-Backbone interact. energy: -0.138
local terms energy: -116.066592
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -28.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -290.344147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.344147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.344147 (E_RNA)
where:
Base-Base interactions energy: -177.623
where: short stacking energy: -89.445
Base-Backbone interact. energy: -0.183
local terms energy: -112.537918
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -22.506
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: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -256.869011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.869011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.869011 (E_RNA)
where:
Base-Base interactions energy: -160.977
where: short stacking energy: -73.351
Base-Backbone interact. energy: -0.169
local terms energy: -95.723079
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -231.864140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.864140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.864140 (E_RNA)
where:
Base-Base interactions energy: -132.473
where: short stacking energy: -69.061
Base-Backbone interact. energy: -0.240
local terms energy: -99.151082
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -18.563
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: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -230.447591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.447591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.447591 (E_RNA)
where:
Base-Base interactions energy: -133.717
where: short stacking energy: -69.739
Base-Backbone interact. energy: -0.139
local terms energy: -96.591385
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -198.128942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.128942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.128942 (E_RNA)
where:
Base-Base interactions energy: -111.169
where: short stacking energy: -62.785
Base-Backbone interact. energy: -0.205
local terms energy: -86.754500
where:
bonds (distance) C4'-P energy: -23.394
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -12.452
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: 62
Temperature: 1.300000
Total energy: -223.466943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.466943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.466943 (E_RNA)
where:
Base-Base interactions energy: -145.394
where: short stacking energy: -70.367
Base-Backbone interact. energy: -0.901
local terms energy: -77.171369
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -8.683
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: 10, replica: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -107.530525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.530525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.530525 (E_RNA)
where:
Base-Base interactions energy: -43.089
where: short stacking energy: -28.146
Base-Backbone interact. energy: -0.765
local terms energy: -63.676512
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: 3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -351.840427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.840427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.840427 (E_RNA)
where:
Base-Base interactions energy: -239.477
where: short stacking energy: -90.541
Base-Backbone interact. energy: -0.437
local terms energy: -111.926176
where:
bonds (distance) C4'-P energy: -22.841
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -355.077367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.077367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.077367 (E_RNA)
where:
Base-Base interactions energy: -236.524
where: short stacking energy: -106.942
Base-Backbone interact. energy: -0.005
local terms energy: -118.548817
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -34.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -300.656092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.656092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.656092 (E_RNA)
where:
Base-Base interactions energy: -192.026
where: short stacking energy: -99.779
Base-Backbone interact. energy: -0.786
local terms energy: -107.844078
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -280.295874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.295874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.295874 (E_RNA)
where:
Base-Base interactions energy: -175.836
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.162
local terms energy: -104.297515
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -23.686
flat angles C4'-P-C4' energy: -25.283
flat angles P-C4'-P energy: -13.397
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: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -257.644463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.644463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.644463 (E_RNA)
where:
Base-Base interactions energy: -162.026
where: short stacking energy: -80.410
Base-Backbone interact. energy: -0.175
local terms energy: -95.443401
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -15.166
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: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -224.470608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.470608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.470608 (E_RNA)
where:
Base-Base interactions energy: -129.097
where: short stacking energy: -75.726
Base-Backbone interact. energy: -0.158
local terms energy: -95.215564
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -17.763
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: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -226.385412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.385412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.385412 (E_RNA)
where:
Base-Base interactions energy: -131.599
where: short stacking energy: -68.228
Base-Backbone interact. energy: 0.300
local terms energy: -95.085902
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -209.936466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.936466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.936466 (E_RNA)
where:
Base-Base interactions energy: -122.106
where: short stacking energy: -51.940
Base-Backbone interact. energy: 4.320
local terms energy: -92.149626
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -13.067
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: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -185.675718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.675718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.675718 (E_RNA)
where:
Base-Base interactions energy: -100.695
where: short stacking energy: -45.526
Base-Backbone interact. energy: 0.084
local terms energy: -85.064571
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -115.494649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.494649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.494649 (E_RNA)
where:
Base-Base interactions energy: -51.311
where: short stacking energy: -29.115
Base-Backbone interact. energy: -0.496
local terms energy: -63.687674
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: 4.018
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: 64
Temperature: 0.900000
Total energy: -366.154072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.154072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.154072 (E_RNA)
where:
Base-Base interactions energy: -239.855
where: short stacking energy: -106.634
Base-Backbone interact. energy: -0.021
local terms energy: -126.277411
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -32.727
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: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -335.240430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.240430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.240430 (E_RNA)
where:
Base-Base interactions energy: -226.090
where: short stacking energy: -93.845
Base-Backbone interact. energy: -0.269
local terms energy: -108.880770
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -26.442
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: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -292.577995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.577995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.577995 (E_RNA)
where:
Base-Base interactions energy: -179.952
where: short stacking energy: -76.955
Base-Backbone interact. energy: 0.088
local terms energy: -112.713924
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -24.844
flat angles C4'-P-C4' energy: -26.492
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -292.935215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.935215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.935215 (E_RNA)
where:
Base-Base interactions energy: -190.181
where: short stacking energy: -90.465
Base-Backbone interact. energy: -0.172
local terms energy: -102.582695
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -23.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -274.993936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.993936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.993936 (E_RNA)
where:
Base-Base interactions energy: -182.134
where: short stacking energy: -88.275
Base-Backbone interact. energy: -0.254
local terms energy: -92.605450
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -18.736
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: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -252.020005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.020005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.020005 (E_RNA)
where:
Base-Base interactions energy: -155.788
where: short stacking energy: -80.648
Base-Backbone interact. energy: -0.255
local terms energy: -95.977141
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -24.769
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: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -261.106233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.106233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.106233 (E_RNA)
where:
Base-Base interactions energy: -157.540
where: short stacking energy: -78.408
Base-Backbone interact. energy: -0.349
local terms energy: -103.216416
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -13.132
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: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -231.527906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.527906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.527906 (E_RNA)
where:
Base-Base interactions energy: -146.076
where: short stacking energy: -67.166
Base-Backbone interact. energy: -1.078
local terms energy: -84.373655
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -14.348
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: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -206.791835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.791835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.791835 (E_RNA)
where:
Base-Base interactions energy: -122.115
where: short stacking energy: -61.764
Base-Backbone interact. energy: 0.384
local terms energy: -85.060823
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -106.137842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.137842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.137842 (E_RNA)
where:
Base-Base interactions energy: -46.405
where: short stacking energy: -38.122
Base-Backbone interact. energy: -0.615
local terms energy: -59.118010
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -1.005
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: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -366.149555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.149555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.149555 (E_RNA)
where:
Base-Base interactions energy: -248.699
where: short stacking energy: -113.623
Base-Backbone interact. energy: -0.092
local terms energy: -117.358209
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -32.734
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: 65
Temperature: 0.950000
Total energy: -309.270874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.270874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.270874 (E_RNA)
where:
Base-Base interactions energy: -196.529
where: short stacking energy: -86.700
Base-Backbone interact. energy: -0.281
local terms energy: -112.460404
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -330.569850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.569850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.569850 (E_RNA)
where:
Base-Base interactions energy: -217.642
where: short stacking energy: -99.575
Base-Backbone interact. energy: -0.959
local terms energy: -111.968251
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -30.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -257.389693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.389693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.389693 (E_RNA)
where:
Base-Base interactions energy: -158.758
where: short stacking energy: -80.138
Base-Backbone interact. energy: -0.753
local terms energy: -97.878736
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -16.514
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: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -290.119413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.119413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.119413 (E_RNA)
where:
Base-Base interactions energy: -188.357
where: short stacking energy: -97.627
Base-Backbone interact. energy: -0.079
local terms energy: -101.683622
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -26.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -235.106931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.106931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.106931 (E_RNA)
where:
Base-Base interactions energy: -158.258
where: short stacking energy: -76.054
Base-Backbone interact. energy: -0.192
local terms energy: -76.656851
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -23.515
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: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -243.437610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.437610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.437610 (E_RNA)
where:
Base-Base interactions energy: -146.052
where: short stacking energy: -73.254
Base-Backbone interact. energy: -0.153
local terms energy: -97.232505
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -219.780063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.780063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.780063 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.878
local terms energy: -94.064830
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -203.024245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.024245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.024245 (E_RNA)
where:
Base-Base interactions energy: -124.967
where: short stacking energy: -61.826
Base-Backbone interact. energy: 1.982
local terms energy: -80.039415
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -106.232630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.232630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.232630 (E_RNA)
where:
Base-Base interactions energy: -45.116
where: short stacking energy: -20.240
Base-Backbone interact. energy: -0.034
local terms energy: -61.082622
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: 7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -364.082026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.082026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.082026 (E_RNA)
where:
Base-Base interactions energy: -235.102
where: short stacking energy: -110.772
Base-Backbone interact. energy: -0.543
local terms energy: -128.436956
where:
bonds (distance) C4'-P energy: -26.629
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -34.065
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: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -279.673506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.673506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.673506 (E_RNA)
where:
Base-Base interactions energy: -168.520
where: short stacking energy: -79.826
Base-Backbone interact. energy: -0.215
local terms energy: -110.938610
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -27.612
flat angles P-C4'-P energy: -15.579
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: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -330.673022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.673022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.673022 (E_RNA)
where:
Base-Base interactions energy: -215.992
where: short stacking energy: -96.007
Base-Backbone interact. energy: -0.230
local terms energy: -114.451247
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -27.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -276.053730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.053730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.053730 (E_RNA)
where:
Base-Base interactions energy: -170.985
where: short stacking energy: -86.360
Base-Backbone interact. energy: 0.086
local terms energy: -105.154721
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -231.959753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.959753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.959753 (E_RNA)
where:
Base-Base interactions energy: -144.918
where: short stacking energy: -70.406
Base-Backbone interact. energy: 0.152
local terms energy: -87.193361
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -273.061657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.061657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.061657 (E_RNA)
where:
Base-Base interactions energy: -180.021
where: short stacking energy: -84.241
Base-Backbone interact. energy: -0.081
local terms energy: -92.960128
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -218.959008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.959008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.959008 (E_RNA)
where:
Base-Base interactions energy: -129.238
where: short stacking energy: -62.972
Base-Backbone interact. energy: -0.091
local terms energy: -89.630188
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -14.694
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: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -211.257039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.257039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.257039 (E_RNA)
where:
Base-Base interactions energy: -128.943
where: short stacking energy: -69.834
Base-Backbone interact. energy: -0.504
local terms energy: -81.810229
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -218.517759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.517759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.517759 (E_RNA)
where:
Base-Base interactions energy: -135.129
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.053
local terms energy: -83.335746
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -9.260
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: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -117.539035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.539035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.539035 (E_RNA)
where:
Base-Base interactions energy: -51.445
where: short stacking energy: -34.836
Base-Backbone interact. energy: 1.086
local terms energy: -67.180313
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: 1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -362.527125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.527125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.527125 (E_RNA)
where:
Base-Base interactions energy: -251.484
where: short stacking energy: -115.425
Base-Backbone interact. energy: -0.246
local terms energy: -110.797754
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -33.747
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: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -336.458226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.458226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.458226 (E_RNA)
where:
Base-Base interactions energy: -221.885
where: short stacking energy: -104.238
Base-Backbone interact. energy: -0.405
local terms energy: -114.168081
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -31.528
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: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -285.685243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.685243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.685243 (E_RNA)
where:
Base-Base interactions energy: -170.812
where: short stacking energy: -82.682
Base-Backbone interact. energy: -0.051
local terms energy: -114.822023
where:
bonds (distance) C4'-P energy: -25.115
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -257.475221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.475221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.475221 (E_RNA)
where:
Base-Base interactions energy: -148.943
where: short stacking energy: -80.186
Base-Backbone interact. energy: -0.505
local terms energy: -108.026834
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -232.382934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.382934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.382934 (E_RNA)
where:
Base-Base interactions energy: -134.226
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.415
local terms energy: -97.741596
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -281.930351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.930351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.930351 (E_RNA)
where:
Base-Base interactions energy: -176.780
where: short stacking energy: -78.965
Base-Backbone interact. energy: -0.041
local terms energy: -105.109477
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -24.785
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -229.643662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.643662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.643662 (E_RNA)
where:
Base-Base interactions energy: -141.955
where: short stacking energy: -71.149
Base-Backbone interact. energy: -0.286
local terms energy: -87.402696
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -208.703235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.703235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.703235 (E_RNA)
where:
Base-Base interactions energy: -123.631
where: short stacking energy: -65.283
Base-Backbone interact. energy: 0.122
local terms energy: -85.194053
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -208.660063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.660063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.660063 (E_RNA)
where:
Base-Base interactions energy: -128.837
where: short stacking energy: -58.114
Base-Backbone interact. energy: -0.074
local terms energy: -79.748626
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -13.309
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: 67
Temperature: 1.350000
Total energy: -100.402214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.402214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.402214 (E_RNA)
where:
Base-Base interactions energy: -41.699
where: short stacking energy: -31.670
Base-Backbone interact. energy: 0.065
local terms energy: -58.767925
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: 1.297
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: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -350.921355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.921355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.921355 (E_RNA)
where:
Base-Base interactions energy: -227.837
where: short stacking energy: -107.454
Base-Backbone interact. energy: -0.077
local terms energy: -123.006481
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -31.736
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: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -340.156107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.156107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.156107 (E_RNA)
where:
Base-Base interactions energy: -226.531
where: short stacking energy: -101.878
Base-Backbone interact. energy: 1.237
local terms energy: -114.861735
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -28.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -281.077528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.077528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.077528 (E_RNA)
where:
Base-Base interactions energy: -175.888
where: short stacking energy: -83.095
Base-Backbone interact. energy: -0.022
local terms energy: -105.167760
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -16.033
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -267.584192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.584192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.584192 (E_RNA)
where:
Base-Base interactions energy: -169.012
where: short stacking energy: -93.751
Base-Backbone interact. energy: -0.956
local terms energy: -97.615985
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -296.798664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.798664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.798664 (E_RNA)
where:
Base-Base interactions energy: -186.560
where: short stacking energy: -96.071
Base-Backbone interact. energy: -0.046
local terms energy: -110.192636
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -26.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -237.897848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.897848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.897848 (E_RNA)
where:
Base-Base interactions energy: -140.935
where: short stacking energy: -71.542
Base-Backbone interact. energy: -0.509
local terms energy: -96.453624
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -217.683262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.683262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.683262 (E_RNA)
where:
Base-Base interactions energy: -130.942
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.423
local terms energy: -86.317842
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -225.776388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.776388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.776388 (E_RNA)
where:
Base-Base interactions energy: -124.452
where: short stacking energy: -62.537
Base-Backbone interact. energy: 0.393
local terms energy: -101.717709
where:
bonds (distance) C4'-P energy: -22.282
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -212.807726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.807726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.807726 (E_RNA)
where:
Base-Base interactions energy: -144.740
where: short stacking energy: -65.639
Base-Backbone interact. energy: 3.119
local terms energy: -71.186501
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -109.990309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.990309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.990309 (E_RNA)
where:
Base-Base interactions energy: -55.437
where: short stacking energy: -29.121
Base-Backbone interact. energy: 0.633
local terms energy: -55.186730
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -1.983
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -353.471662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.471662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.471662 (E_RNA)
where:
Base-Base interactions energy: -226.518
where: short stacking energy: -103.919
Base-Backbone interact. energy: -0.655
local terms energy: -126.298145
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -30.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -340.414783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.414783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.414783 (E_RNA)
where:
Base-Base interactions energy: -216.773
where: short stacking energy: -103.738
Base-Backbone interact. energy: -0.112
local terms energy: -123.529827
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -30.879
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: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -292.049815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.049815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.049815 (E_RNA)
where:
Base-Base interactions energy: -193.411
where: short stacking energy: -90.442
Base-Backbone interact. energy: -0.065
local terms energy: -98.573191
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -17.496
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: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -312.703882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.703882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.703882 (E_RNA)
where:
Base-Base interactions energy: -193.127
where: short stacking energy: -102.043
Base-Backbone interact. energy: -0.005
local terms energy: -119.572299
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -29.629
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: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -250.593765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.593765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.593765 (E_RNA)
where:
Base-Base interactions energy: -157.960
where: short stacking energy: -79.464
Base-Backbone interact. energy: -0.754
local terms energy: -91.880524
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -18.044
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: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -236.614373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.614373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.614373 (E_RNA)
where:
Base-Base interactions energy: -132.658
where: short stacking energy: -73.796
Base-Backbone interact. energy: -0.591
local terms energy: -103.365930
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -22.063
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -203.965391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.965391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.965391 (E_RNA)
where:
Base-Base interactions energy: -122.439
where: short stacking energy: -60.767
Base-Backbone interact. energy: -0.315
local terms energy: -81.211722
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -253.501085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.501085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.501085 (E_RNA)
where:
Base-Base interactions energy: -159.153
where: short stacking energy: -69.642
Base-Backbone interact. energy: -0.131
local terms energy: -94.216510
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -19.256
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -234.903379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.903379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.903379 (E_RNA)
where:
Base-Base interactions energy: -142.713
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.606
local terms energy: -91.583869
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -107.558934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.558934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.558934 (E_RNA)
where:
Base-Base interactions energy: -40.462
where: short stacking energy: -40.341
Base-Backbone interact. energy: -0.311
local terms energy: -66.786234
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -5.020
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: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -360.739292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.739292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.739292 (E_RNA)
where:
Base-Base interactions energy: -237.062
where: short stacking energy: -108.951
Base-Backbone interact. energy: -0.790
local terms energy: -122.887157
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -32.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -329.727048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.727048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.727048 (E_RNA)
where:
Base-Base interactions energy: -228.998
where: short stacking energy: -94.510
Base-Backbone interact. energy: -0.178
local terms energy: -100.551282
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -302.879497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.879497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.879497 (E_RNA)
where:
Base-Base interactions energy: -194.054
where: short stacking energy: -95.251
Base-Backbone interact. energy: 0.648
local terms energy: -109.473455
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -24.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -271.371812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.371812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.371812 (E_RNA)
where:
Base-Base interactions energy: -176.776
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.126
local terms energy: -94.469177
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -12.126
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: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -243.760150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.760150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.760150 (E_RNA)
where:
Base-Base interactions energy: -153.993
where: short stacking energy: -74.429
Base-Backbone interact. energy: -0.314
local terms energy: -89.452648
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -235.674557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.674557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.674557 (E_RNA)
where:
Base-Base interactions energy: -147.717
where: short stacking energy: -62.158
Base-Backbone interact. energy: -0.312
local terms energy: -87.645164
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -270.977456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.977456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.977456 (E_RNA)
where:
Base-Base interactions energy: -174.248
where: short stacking energy: -93.213
Base-Backbone interact. energy: 0.729
local terms energy: -97.458483
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -26.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -218.748734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.748734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.748734 (E_RNA)
where:
Base-Base interactions energy: -134.683
where: short stacking energy: -74.415
Base-Backbone interact. energy: -0.222
local terms energy: -83.843580
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -12.701
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: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -208.818748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.818748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.818748 (E_RNA)
where:
Base-Base interactions energy: -112.982
where: short stacking energy: -45.177
Base-Backbone interact. energy: -1.601
local terms energy: -94.235888
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -98.512583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.512583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.512583 (E_RNA)
where:
Base-Base interactions energy: -33.143
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.249
local terms energy: -65.120551
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -354.888091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.888091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.888091 (E_RNA)
where:
Base-Base interactions energy: -235.940
where: short stacking energy: -108.301
Base-Backbone interact. energy: 0.355
local terms energy: -119.303621
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -36.012
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -348.375103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.375103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.375103 (E_RNA)
where:
Base-Base interactions energy: -247.964
where: short stacking energy: -103.045
Base-Backbone interact. energy: -0.201
local terms energy: -100.210024
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -305.072803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.072803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.072803 (E_RNA)
where:
Base-Base interactions energy: -184.299
where: short stacking energy: -88.603
Base-Backbone interact. energy: -0.678
local terms energy: -120.095313
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -29.965
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: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -284.456983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.456983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.456983 (E_RNA)
where:
Base-Base interactions energy: -175.286
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.131
local terms energy: -109.040119
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -18.042
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: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -243.036522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.036522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.036522 (E_RNA)
where:
Base-Base interactions energy: -143.265
where: short stacking energy: -71.063
Base-Backbone interact. energy: -0.396
local terms energy: -99.375651
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -16.402
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: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -280.622648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.622648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.622648 (E_RNA)
where:
Base-Base interactions energy: -176.588
where: short stacking energy: -81.978
Base-Backbone interact. energy: -0.397
local terms energy: -103.637548
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -236.142086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.142086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.142086 (E_RNA)
where:
Base-Base interactions energy: -145.028
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.136
local terms energy: -90.978964
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -235.807000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.807000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.807000 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -71.277
Base-Backbone interact. energy: -0.300
local terms energy: -93.872652
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -223.096498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.096498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.096498 (E_RNA)
where:
Base-Base interactions energy: -135.972
where: short stacking energy: -75.485
Base-Backbone interact. energy: -0.214
local terms energy: -86.910985
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -14.800
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: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -110.472884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.472884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.472884 (E_RNA)
where:
Base-Base interactions energy: -50.750
where: short stacking energy: -34.696
Base-Backbone interact. energy: -1.777
local terms energy: -57.945821
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: 0.846
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: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -362.666556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.666556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.666556 (E_RNA)
where:
Base-Base interactions energy: -235.965
where: short stacking energy: -113.121
Base-Backbone interact. energy: -0.152
local terms energy: -126.548966
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -35.114
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: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -327.372284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.372284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.372284 (E_RNA)
where:
Base-Base interactions energy: -218.275
where: short stacking energy: -86.266
Base-Backbone interact. energy: -0.110
local terms energy: -108.986657
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -24.689
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: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -314.899476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.899476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.899476 (E_RNA)
where:
Base-Base interactions energy: -212.141
where: short stacking energy: -107.590
Base-Backbone interact. energy: -0.003
local terms energy: -102.755834
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -27.943
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: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -313.650901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.650901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.650901 (E_RNA)
where:
Base-Base interactions energy: -197.728
where: short stacking energy: -100.369
Base-Backbone interact. energy: -0.003
local terms energy: -115.920579
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -32.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -287.961757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.961757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.961757 (E_RNA)
where:
Base-Base interactions energy: -182.131
where: short stacking energy: -89.495
Base-Backbone interact. energy: -0.009
local terms energy: -105.822584
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -27.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -226.639943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.639943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.639943 (E_RNA)
where:
Base-Base interactions energy: -141.089
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.063
local terms energy: -85.487976
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -12.187
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: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -219.137370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.137370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.137370 (E_RNA)
where:
Base-Base interactions energy: -113.213
where: short stacking energy: -64.011
Base-Backbone interact. energy: -0.695
local terms energy: -105.228752
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -19.081
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: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -233.631713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.631713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.631713 (E_RNA)
where:
Base-Base interactions energy: -141.727
where: short stacking energy: -61.666
Base-Backbone interact. energy: -0.515
local terms energy: -91.389768
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -17.283
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: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -189.037863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.037863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.037863 (E_RNA)
where:
Base-Base interactions energy: -114.242
where: short stacking energy: -51.142
Base-Backbone interact. energy: -0.547
local terms energy: -74.248315
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -108.224043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.224043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.224043 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -37.102
Base-Backbone interact. energy: -1.775
local terms energy: -68.815831
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -354.668003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.668003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.668003 (E_RNA)
where:
Base-Base interactions energy: -240.198
where: short stacking energy: -105.874
Base-Backbone interact. energy: -0.283
local terms energy: -114.187042
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -34.713
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: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -326.187572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.187572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.187572 (E_RNA)
where:
Base-Base interactions energy: -217.559
where: short stacking energy: -92.859
Base-Backbone interact. energy: -0.035
local terms energy: -108.593387
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -310.315294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.315294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.315294 (E_RNA)
where:
Base-Base interactions energy: -200.218
where: short stacking energy: -101.938
Base-Backbone interact. energy: 0.198
local terms energy: -110.295347
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -28.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -299.321359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.321359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.321359 (E_RNA)
where:
Base-Base interactions energy: -192.879
where: short stacking energy: -93.261
Base-Backbone interact. energy: -0.033
local terms energy: -106.409530
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -25.650
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: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -313.179364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.179364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.179364 (E_RNA)
where:
Base-Base interactions energy: -207.601
where: short stacking energy: -97.921
Base-Backbone interact. energy: -0.126
local terms energy: -105.452192
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -36.335
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: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -247.204927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.204927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.204927 (E_RNA)
where:
Base-Base interactions energy: -146.382
where: short stacking energy: -72.674
Base-Backbone interact. energy: -0.220
local terms energy: -100.602582
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -25.178
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -233.114644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.114644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.114644 (E_RNA)
where:
Base-Base interactions energy: -139.333
where: short stacking energy: -63.509
Base-Backbone interact. energy: 1.020
local terms energy: -94.801656
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -202.438374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.438374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.438374 (E_RNA)
where:
Base-Base interactions energy: -116.165
where: short stacking energy: -55.852
Base-Backbone interact. energy: -1.169
local terms energy: -85.104056
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -11.929
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: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -219.989557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.989557 (E_RNA)
where:
Base-Base interactions energy: -135.103
where: short stacking energy: -63.801
Base-Backbone interact. energy: -0.100
local terms energy: -84.786520
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -114.541403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.541403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.541403 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -37.663
Base-Backbone interact. energy: 0.566
local terms energy: -77.444379
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -5.516
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: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -331.605788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.605788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.605788 (E_RNA)
where:
Base-Base interactions energy: -224.124
where: short stacking energy: -96.150
Base-Backbone interact. energy: -0.113
local terms energy: -107.368456
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -348.329777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.329777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.329777 (E_RNA)
where:
Base-Base interactions energy: -228.767
where: short stacking energy: -106.873
Base-Backbone interact. energy: 0.194
local terms energy: -119.756382
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -32.782
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: 74
Temperature: 1.000000
Total energy: -314.541278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.541278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.541278 (E_RNA)
where:
Base-Base interactions energy: -203.432
where: short stacking energy: -93.963
Base-Backbone interact. energy: -0.788
local terms energy: -110.321398
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -289.610352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.610352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.610352 (E_RNA)
where:
Base-Base interactions energy: -183.090
where: short stacking energy: -89.124
Base-Backbone interact. energy: -0.122
local terms energy: -106.398198
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -250.602858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.602858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.602858 (E_RNA)
where:
Base-Base interactions energy: -152.607
where: short stacking energy: -82.683
Base-Backbone interact. energy: 0.510
local terms energy: -98.505782
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -292.786487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.786487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.786487 (E_RNA)
where:
Base-Base interactions energy: -179.966
where: short stacking energy: -88.192
Base-Backbone interact. energy: -0.122
local terms energy: -112.699048
where:
bonds (distance) C4'-P energy: -25.739
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -26.181
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -28.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -232.824840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.824840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.824840 (E_RNA)
where:
Base-Base interactions energy: -144.483
where: short stacking energy: -73.128
Base-Backbone interact. energy: -0.416
local terms energy: -87.925603
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -11.249
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: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -213.804024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.804024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.804024 (E_RNA)
where:
Base-Base interactions energy: -125.600
where: short stacking energy: -55.338
Base-Backbone interact. energy: -0.275
local terms energy: -87.928581
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -10.298
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -222.311159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.311159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.311159 (E_RNA)
where:
Base-Base interactions energy: -129.454
where: short stacking energy: -59.140
Base-Backbone interact. energy: -0.514
local terms energy: -92.343314
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -116.641217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.641217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.641217 (E_RNA)
where:
Base-Base interactions energy: -39.004
where: short stacking energy: -32.281
Base-Backbone interact. energy: -0.484
local terms energy: -77.153546
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -314.258920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.258920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.258920 (E_RNA)
where:
Base-Base interactions energy: -199.960
where: short stacking energy: -89.354
Base-Backbone interact. energy: -0.243
local terms energy: -114.056218
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -24.261
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -353.578101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.578101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.578101 (E_RNA)
where:
Base-Base interactions energy: -232.272
where: short stacking energy: -100.482
Base-Backbone interact. energy: -0.574
local terms energy: -120.732052
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -25.753
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -32.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -308.831208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.831208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.831208 (E_RNA)
where:
Base-Base interactions energy: -207.413
where: short stacking energy: -90.669
Base-Backbone interact. energy: 1.181
local terms energy: -102.599477
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -276.668019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.668019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.668019 (E_RNA)
where:
Base-Base interactions energy: -163.702
where: short stacking energy: -72.825
Base-Backbone interact. energy: -0.174
local terms energy: -112.792383
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -19.809
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: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -242.652089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.652089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.652089 (E_RNA)
where:
Base-Base interactions energy: -152.823
where: short stacking energy: -77.359
Base-Backbone interact. energy: 0.330
local terms energy: -90.158986
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -244.893365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.893365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.893365 (E_RNA)
where:
Base-Base interactions energy: -147.903
where: short stacking energy: -72.301
Base-Backbone interact. energy: -1.019
local terms energy: -95.971429
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -25.689
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -244.773414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.773414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.773414 (E_RNA)
where:
Base-Base interactions energy: -147.275
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.184
local terms energy: -97.314142
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -222.946640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.946640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.946640 (E_RNA)
where:
Base-Base interactions energy: -136.111
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.143
local terms energy: -86.692441
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -211.627772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.627772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.627772 (E_RNA)
where:
Base-Base interactions energy: -135.107
where: short stacking energy: -66.280
Base-Backbone interact. energy: 0.161
local terms energy: -76.682460
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -6.545
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: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -111.244670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.244670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.244670 (E_RNA)
where:
Base-Base interactions energy: -53.069
where: short stacking energy: -41.468
Base-Backbone interact. energy: 1.113
local terms energy: -59.289018
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: 2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -315.882664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.882664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.882664 (E_RNA)
where:
Base-Base interactions energy: -207.800
where: short stacking energy: -100.892
Base-Backbone interact. energy: -0.114
local terms energy: -107.968016
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -26.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -341.495213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.495213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.495213 (E_RNA)
where:
Base-Base interactions energy: -222.078
where: short stacking energy: -100.803
Base-Backbone interact. energy: -0.859
local terms energy: -118.558241
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -32.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -301.227057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.227057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.227057 (E_RNA)
where:
Base-Base interactions energy: -188.822
where: short stacking energy: -91.230
Base-Backbone interact. energy: -0.013
local terms energy: -112.392647
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -295.924502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.924502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.924502 (E_RNA)
where:
Base-Base interactions energy: -181.075
where: short stacking energy: -78.459
Base-Backbone interact. energy: -0.225
local terms energy: -114.624518
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -19.214
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: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -267.826583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.826583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.826583 (E_RNA)
where:
Base-Base interactions energy: -171.385
where: short stacking energy: -81.898
Base-Backbone interact. energy: 0.405
local terms energy: -96.846708
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -17.861
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: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -248.399287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.399287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.399287 (E_RNA)
where:
Base-Base interactions energy: -144.251
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.507
local terms energy: -103.641724
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -17.032
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: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -218.552855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.552855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.552855 (E_RNA)
where:
Base-Base interactions energy: -136.832
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.248
local terms energy: -81.472308
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -16.683
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: 76
Temperature: 1.250000
Total energy: -237.813167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.813167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.813167 (E_RNA)
where:
Base-Base interactions energy: -149.472
where: short stacking energy: -82.903
Base-Backbone interact. energy: -0.020
local terms energy: -88.320963
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -212.028312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.028312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.028312 (E_RNA)
where:
Base-Base interactions energy: -146.101
where: short stacking energy: -63.205
Base-Backbone interact. energy: -0.400
local terms energy: -65.527564
where:
bonds (distance) C4'-P energy: -6.500
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -10.931
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: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -120.373190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.373190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.373190 (E_RNA)
where:
Base-Base interactions energy: -41.515
where: short stacking energy: -36.888
Base-Backbone interact. energy: -0.074
local terms energy: -78.783708
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -323.250695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.250695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.250695 (E_RNA)
where:
Base-Base interactions energy: -210.917
where: short stacking energy: -108.266
Base-Backbone interact. energy: 0.032
local terms energy: -112.365504
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -336.405901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.405901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.405901 (E_RNA)
where:
Base-Base interactions energy: -221.800
where: short stacking energy: -103.533
Base-Backbone interact. energy: -1.184
local terms energy: -113.421832
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -25.716
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -32.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -307.293908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.293908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.293908 (E_RNA)
where:
Base-Base interactions energy: -191.769
where: short stacking energy: -91.405
Base-Backbone interact. energy: -0.001
local terms energy: -115.523205
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -31.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -312.686072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.686072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.686072 (E_RNA)
where:
Base-Base interactions energy: -196.838
where: short stacking energy: -101.259
Base-Backbone interact. energy: -0.354
local terms energy: -115.494364
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -33.654
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: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -247.733870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.733870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.733870 (E_RNA)
where:
Base-Base interactions energy: -149.101
where: short stacking energy: -79.999
Base-Backbone interact. energy: -0.101
local terms energy: -98.531420
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -248.606598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.606598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.606598 (E_RNA)
where:
Base-Base interactions energy: -152.526
where: short stacking energy: -85.111
Base-Backbone interact. energy: -0.011
local terms energy: -96.069703
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -12.974
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: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -248.725993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.725993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.725993 (E_RNA)
where:
Base-Base interactions energy: -139.610
where: short stacking energy: -68.942
Base-Backbone interact. energy: -0.079
local terms energy: -109.037269
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -15.770
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: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -219.781793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.781793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.781793 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.001
local terms energy: -89.375613
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -10.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -210.112953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.112953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.112953 (E_RNA)
where:
Base-Base interactions energy: -121.923
where: short stacking energy: -64.118
Base-Backbone interact. energy: 0.361
local terms energy: -88.551325
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -16.805
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: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -97.168279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.168279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.168279 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -33.897
Base-Backbone interact. energy: -0.309
local terms energy: -62.962704
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: 2.969
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: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -316.192073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.192073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.192073 (E_RNA)
where:
Base-Base interactions energy: -209.051
where: short stacking energy: -91.956
Base-Backbone interact. energy: -0.070
local terms energy: -107.070853
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -23.921
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -325.310437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.310437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.310437 (E_RNA)
where:
Base-Base interactions energy: -203.674
where: short stacking energy: -106.176
Base-Backbone interact. energy: -0.335
local terms energy: -121.300913
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -28.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -315.273778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.273778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.273778 (E_RNA)
where:
Base-Base interactions energy: -195.189
where: short stacking energy: -96.060
Base-Backbone interact. energy: -0.093
local terms energy: -119.991155
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -37.220
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: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -316.867616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.867616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.867616 (E_RNA)
where:
Base-Base interactions energy: -200.117
where: short stacking energy: -102.830
Base-Backbone interact. energy: -0.084
local terms energy: -116.667421
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -34.280
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -259.232813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.232813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.232813 (E_RNA)
where:
Base-Base interactions energy: -155.393
where: short stacking energy: -73.122
Base-Backbone interact. energy: 2.105
local terms energy: -105.944714
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -254.015046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.015046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.015046 (E_RNA)
where:
Base-Base interactions energy: -166.516
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.214
local terms energy: -87.285078
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -20.798
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: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -233.433448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.433448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.433448 (E_RNA)
where:
Base-Base interactions energy: -141.875
where: short stacking energy: -55.537
Base-Backbone interact. energy: -0.343
local terms energy: -91.216332
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -14.131
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: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -205.880877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.880877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.880877 (E_RNA)
where:
Base-Base interactions energy: -125.621
where: short stacking energy: -48.533
Base-Backbone interact. energy: -0.074
local terms energy: -80.185461
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -8.924
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: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -215.452638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.452638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.452638 (E_RNA)
where:
Base-Base interactions energy: -129.703
where: short stacking energy: -70.277
Base-Backbone interact. energy: 6.763
local terms energy: -92.511785
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -117.914514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.914514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.914514 (E_RNA)
where:
Base-Base interactions energy: -47.575
where: short stacking energy: -42.024
Base-Backbone interact. energy: 0.718
local terms energy: -71.057322
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -7.437
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: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -306.491066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.491066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.491066 (E_RNA)
where:
Base-Base interactions energy: -190.756
where: short stacking energy: -88.981
Base-Backbone interact. energy: -1.193
local terms energy: -114.541659
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -313.992942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.992942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.992942 (E_RNA)
where:
Base-Base interactions energy: -190.964
where: short stacking energy: -94.304
Base-Backbone interact. energy: -0.131
local terms energy: -122.897830
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -28.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -307.008733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.008733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.008733 (E_RNA)
where:
Base-Base interactions energy: -200.358
where: short stacking energy: -88.626
Base-Backbone interact. energy: -1.512
local terms energy: -105.139396
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -24.910
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: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -292.263365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.263365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.263365 (E_RNA)
where:
Base-Base interactions energy: -185.948
where: short stacking energy: -90.849
Base-Backbone interact. energy: 0.754
local terms energy: -107.069700
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -251.199272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.199272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.199272 (E_RNA)
where:
Base-Base interactions energy: -159.726
where: short stacking energy: -79.516
Base-Backbone interact. energy: -0.048
local terms energy: -91.424836
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -250.815016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.815016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.815016 (E_RNA)
where:
Base-Base interactions energy: -155.680
where: short stacking energy: -79.973
Base-Backbone interact. energy: -0.091
local terms energy: -95.043795
where:
bonds (distance) C4'-P energy: -25.461
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -16.103
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: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -240.460693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.460693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.460693 (E_RNA)
where:
Base-Base interactions energy: -152.273
where: short stacking energy: -79.401
Base-Backbone interact. energy: 1.505
local terms energy: -89.692695
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -213.751550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.751550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.751550 (E_RNA)
where:
Base-Base interactions energy: -127.677
where: short stacking energy: -68.226
Base-Backbone interact. energy: -0.519
local terms energy: -85.554864
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -206.031055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.031055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.031055 (E_RNA)
where:
Base-Base interactions energy: -128.375
where: short stacking energy: -71.916
Base-Backbone interact. energy: -0.727
local terms energy: -76.929598
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -104.405993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.405993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.405993 (E_RNA)
where:
Base-Base interactions energy: -33.830
where: short stacking energy: -26.980
Base-Backbone interact. energy: 2.046
local terms energy: -72.621765
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: 2.072
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: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -318.986738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.986738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.986738 (E_RNA)
where:
Base-Base interactions energy: -206.838
where: short stacking energy: -108.509
Base-Backbone interact. energy: 0.092
local terms energy: -112.241262
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -30.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -300.471056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.471056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.471056 (E_RNA)
where:
Base-Base interactions energy: -192.533
where: short stacking energy: -94.816
Base-Backbone interact. energy: -0.221
local terms energy: -107.717157
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -26.316
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: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -313.254511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.254511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.254511 (E_RNA)
where:
Base-Base interactions energy: -194.538
where: short stacking energy: -98.296
Base-Backbone interact. energy: -0.516
local terms energy: -118.199673
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -29.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -286.865500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.865500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.865500 (E_RNA)
where:
Base-Base interactions energy: -187.542
where: short stacking energy: -91.212
Base-Backbone interact. energy: -0.012
local terms energy: -99.312087
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -261.355068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.355068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.355068 (E_RNA)
where:
Base-Base interactions energy: -158.144
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.088
local terms energy: -103.122695
where:
bonds (distance) C4'-P energy: -25.437
bonds (distance) P-C4' energy: -24.723
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -233.118930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.118930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.118930 (E_RNA)
where:
Base-Base interactions energy: -154.885
where: short stacking energy: -79.852
Base-Backbone interact. energy: -0.588
local terms energy: -77.646465
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -241.238631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.238631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.238631 (E_RNA)
where:
Base-Base interactions energy: -152.999
where: short stacking energy: -71.138
Base-Backbone interact. energy: -0.164
local terms energy: -88.075075
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -19.066
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: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -210.735940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.735940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.735940 (E_RNA)
where:
Base-Base interactions energy: -128.951
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.223
local terms energy: -81.562281
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -189.487518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.487518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.487518 (E_RNA)
where:
Base-Base interactions energy: -110.028
where: short stacking energy: -60.312
Base-Backbone interact. energy: 0.913
local terms energy: -80.372540
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -10.610
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: 10, replica: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -98.351735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.351735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.351735 (E_RNA)
where:
Base-Base interactions energy: -43.121
where: short stacking energy: -25.429
Base-Backbone interact. energy: -0.289
local terms energy: -54.941483
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: 4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -317.591711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.591711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.591711 (E_RNA)
where:
Base-Base interactions energy: -203.873
where: short stacking energy: -103.053
Base-Backbone interact. energy: 0.760
local terms energy: -114.478648
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -25.450
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -29.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -326.044245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.044245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.044245 (E_RNA)
where:
Base-Base interactions energy: -208.492
where: short stacking energy: -99.079
Base-Backbone interact. energy: -0.032
local terms energy: -117.520479
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -30.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -280.281566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.281566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.281566 (E_RNA)
where:
Base-Base interactions energy: -174.034
where: short stacking energy: -100.980
Base-Backbone interact. energy: -0.925
local terms energy: -105.323020
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -27.497
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: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -287.823197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.823197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.823197 (E_RNA)
where:
Base-Base interactions energy: -179.390
where: short stacking energy: -85.726
Base-Backbone interact. energy: -0.097
local terms energy: -108.336110
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -25.840
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: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -263.360724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.360724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.360724 (E_RNA)
where:
Base-Base interactions energy: -172.061
where: short stacking energy: -76.281
Base-Backbone interact. energy: -0.212
local terms energy: -91.088392
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -18.824
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: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -246.418262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.418262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.418262 (E_RNA)
where:
Base-Base interactions energy: -149.390
where: short stacking energy: -71.241
Base-Backbone interact. energy: -1.521
local terms energy: -95.507942
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -227.699246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.699246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.699246 (E_RNA)
where:
Base-Base interactions energy: -147.660
where: short stacking energy: -69.113
Base-Backbone interact. energy: -0.056
local terms energy: -79.983336
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -219.645453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645453 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -49.856
Base-Backbone interact. energy: -0.039
local terms energy: -97.174141
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -13.271
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: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -176.973609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.973609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.973609 (E_RNA)
where:
Base-Base interactions energy: -104.210
where: short stacking energy: -45.528
Base-Backbone interact. energy: -0.365
local terms energy: -72.398931
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -134.033161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.033161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.033161 (E_RNA)
where:
Base-Base interactions energy: -66.205
where: short stacking energy: -32.084
Base-Backbone interact. energy: -0.193
local terms energy: -67.635236
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: 1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -325.084089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.084089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.084089 (E_RNA)
where:
Base-Base interactions energy: -209.636
where: short stacking energy: -94.126
Base-Backbone interact. energy: -0.028
local terms energy: -115.420534
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -24.930
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -25.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -322.675122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.675122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.675122 (E_RNA)
where:
Base-Base interactions energy: -203.803
where: short stacking energy: -102.426
Base-Backbone interact. energy: -0.486
local terms energy: -118.385910
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -27.618
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -25.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -296.592255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.592255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.592255 (E_RNA)
where:
Base-Base interactions energy: -187.162
where: short stacking energy: -97.598
Base-Backbone interact. energy: 0.386
local terms energy: -109.816034
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -25.254
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -22.857
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: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -259.362978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.362978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.362978 (E_RNA)
where:
Base-Base interactions energy: -154.063
where: short stacking energy: -91.258
Base-Backbone interact. energy: -0.121
local terms energy: -105.179180
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -251.133335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.133335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.133335 (E_RNA)
where:
Base-Base interactions energy: -161.127
where: short stacking energy: -78.435
Base-Backbone interact. energy: -0.045
local terms energy: -89.962322
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -10.695
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: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -255.533085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.533085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.533085 (E_RNA)
where:
Base-Base interactions energy: -162.495
where: short stacking energy: -78.569
Base-Backbone interact. energy: -0.066
local terms energy: -92.972036
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -18.867
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: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -243.266220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.266220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.266220 (E_RNA)
where:
Base-Base interactions energy: -155.509
where: short stacking energy: -80.846
Base-Backbone interact. energy: -0.100
local terms energy: -87.656852
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -219.874090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.874090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.874090 (E_RNA)
where:
Base-Base interactions energy: -123.030
where: short stacking energy: -51.629
Base-Backbone interact. energy: 0.783
local terms energy: -97.627062
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -24.699
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -139.975581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.975581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.975581 (E_RNA)
where:
Base-Base interactions energy: -63.902
where: short stacking energy: -26.715
Base-Backbone interact. energy: 2.831
local terms energy: -78.904618
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -13.529
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: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -195.770008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.770008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.770008 (E_RNA)
where:
Base-Base interactions energy: -107.943
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.657
local terms energy: -87.170059
where:
bonds (distance) C4'-P energy: -26.336
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -329.380344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.380344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.380344 (E_RNA)
where:
Base-Base interactions energy: -210.058
where: short stacking energy: -110.645
Base-Backbone interact. energy: -0.003
local terms energy: -119.319621
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -35.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -319.618849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.618849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.618849 (E_RNA)
where:
Base-Base interactions energy: -197.497
where: short stacking energy: -100.992
Base-Backbone interact. energy: -0.202
local terms energy: -121.920277
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -30.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -298.417596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.417596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.417596 (E_RNA)
where:
Base-Base interactions energy: -184.385
where: short stacking energy: -85.049
Base-Backbone interact. energy: 0.063
local terms energy: -114.094962
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -28.252
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: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -254.075748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.075748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.075748 (E_RNA)
where:
Base-Base interactions energy: -159.048
where: short stacking energy: -81.239
Base-Backbone interact. energy: -0.230
local terms energy: -94.797902
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -21.288
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: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -248.224341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.224341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.224341 (E_RNA)
where:
Base-Base interactions energy: -141.716
where: short stacking energy: -76.366
Base-Backbone interact. energy: 1.266
local terms energy: -107.774255
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -243.170906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.170906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.170906 (E_RNA)
where:
Base-Base interactions energy: -141.953
where: short stacking energy: -67.496
Base-Backbone interact. energy: -1.309
local terms energy: -99.908725
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -235.464574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.464574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.464574 (E_RNA)
where:
Base-Base interactions energy: -142.587
where: short stacking energy: -72.163
Base-Backbone interact. energy: 1.624
local terms energy: -94.502474
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -200.519005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.519005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.519005 (E_RNA)
where:
Base-Base interactions energy: -115.412
where: short stacking energy: -48.113
Base-Backbone interact. energy: -0.227
local terms energy: -84.880258
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -141.049034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.049034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.049034 (E_RNA)
where:
Base-Base interactions energy: -75.350
where: short stacking energy: -32.975
Base-Backbone interact. energy: 0.181
local terms energy: -65.880698
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: 2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -190.803269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.803269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.803269 (E_RNA)
where:
Base-Base interactions energy: -116.334
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.218
local terms energy: -74.251117
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -11.897
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: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -324.007732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.007732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.007732 (E_RNA)
where:
Base-Base interactions energy: -204.563
where: short stacking energy: -104.985
Base-Backbone interact. energy: 1.370
local terms energy: -120.814891
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -317.701804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.701804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.701804 (E_RNA)
where:
Base-Base interactions energy: -199.673
where: short stacking energy: -104.739
Base-Backbone interact. energy: -0.003
local terms energy: -118.026025
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -27.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -317.700789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.700789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.700789 (E_RNA)
where:
Base-Base interactions energy: -204.295
where: short stacking energy: -110.327
Base-Backbone interact. energy: 0.152
local terms energy: -113.557804
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -24.875
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -31.336
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: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -282.687475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.687475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.687475 (E_RNA)
where:
Base-Base interactions energy: -165.302
where: short stacking energy: -86.562
Base-Backbone interact. energy: -0.116
local terms energy: -117.269535
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -27.280
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -247.148701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.148701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.148701 (E_RNA)
where:
Base-Base interactions energy: -147.229
where: short stacking energy: -64.956
Base-Backbone interact. energy: -0.453
local terms energy: -99.466873
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -10.128
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: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -253.202459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.202459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.202459 (E_RNA)
where:
Base-Base interactions energy: -168.082
where: short stacking energy: -78.076
Base-Backbone interact. energy: -0.662
local terms energy: -84.458192
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -17.681
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: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -228.955306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.955306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.955306 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -74.484
Base-Backbone interact. energy: -0.211
local terms energy: -89.515670
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -16.368
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: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -200.175850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.175850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.175850 (E_RNA)
where:
Base-Base interactions energy: -115.588
where: short stacking energy: -62.912
Base-Backbone interact. energy: -0.960
local terms energy: -83.627519
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -25.700
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -182.130008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.130008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.130008 (E_RNA)
where:
Base-Base interactions energy: -101.041
where: short stacking energy: -53.246
Base-Backbone interact. energy: 0.158
local terms energy: -81.246432
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -15.073
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: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -111.137890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.137890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.137890 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -21.016
Base-Backbone interact. energy: -0.398
local terms energy: -76.402871
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -314.845687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.845687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.845687 (E_RNA)
where:
Base-Base interactions energy: -192.951
where: short stacking energy: -95.454
Base-Backbone interact. energy: -0.508
local terms energy: -121.386668
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -30.860
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: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -323.730151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.730151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.730151 (E_RNA)
where:
Base-Base interactions energy: -209.442
where: short stacking energy: -110.332
Base-Backbone interact. energy: -0.397
local terms energy: -113.891377
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -32.027
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: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -308.346141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.346141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.346141 (E_RNA)
where:
Base-Base interactions energy: -198.339
where: short stacking energy: -98.458
Base-Backbone interact. energy: -0.079
local terms energy: -109.928481
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -26.565
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: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -275.207321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.207321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.207321 (E_RNA)
where:
Base-Base interactions energy: -181.121
where: short stacking energy: -81.494
Base-Backbone interact. energy: 3.952
local terms energy: -98.038484
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -258.066668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.066668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.066668 (E_RNA)
where:
Base-Base interactions energy: -159.675
where: short stacking energy: -83.088
Base-Backbone interact. energy: -0.382
local terms energy: -98.010469
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -239.115939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.115939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.115939 (E_RNA)
where:
Base-Base interactions energy: -132.898
where: short stacking energy: -64.128
Base-Backbone interact. energy: -0.179
local terms energy: -106.038238
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -12.779
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: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -237.239532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.239532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.239532 (E_RNA)
where:
Base-Base interactions energy: -140.446
where: short stacking energy: -76.016
Base-Backbone interact. energy: 0.667
local terms energy: -97.460688
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -15.781
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: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -197.491504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.491504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.491504 (E_RNA)
where:
Base-Base interactions energy: -117.921
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.133
local terms energy: -79.437783
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -219.334653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.334653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.334653 (E_RNA)
where:
Base-Base interactions energy: -134.919
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.289
local terms energy: -84.127093
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -112.064259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.064259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.064259 (E_RNA)
where:
Base-Base interactions energy: -38.514
where: short stacking energy: -24.918
Base-Backbone interact. energy: -0.530
local terms energy: -73.019890
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: 8.135
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: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -336.216950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.216950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.216950 (E_RNA)
where:
Base-Base interactions energy: -212.471
where: short stacking energy: -105.313
Base-Backbone interact. energy: -0.144
local terms energy: -123.601906
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -24.590
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -32.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -313.008939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.008939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.008939 (E_RNA)
where:
Base-Base interactions energy: -202.085
where: short stacking energy: -104.018
Base-Backbone interact. energy: -0.255
local terms energy: -110.669734
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -27.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -317.198534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.198534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.198534 (E_RNA)
where:
Base-Base interactions energy: -194.380
where: short stacking energy: -106.080
Base-Backbone interact. energy: -0.008
local terms energy: -122.809943
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -31.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -254.202619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.202619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.202619 (E_RNA)
where:
Base-Base interactions energy: -163.511
where: short stacking energy: -89.084
Base-Backbone interact. energy: 0.441
local terms energy: -91.132218
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -264.934542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.934542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.934542 (E_RNA)
where:
Base-Base interactions energy: -156.264
where: short stacking energy: -83.467
Base-Backbone interact. energy: 0.147
local terms energy: -108.817116
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -244.786357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.786357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.786357 (E_RNA)
where:
Base-Base interactions energy: -144.760
where: short stacking energy: -80.467
Base-Backbone interact. energy: -0.200
local terms energy: -99.827124
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -20.280
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: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -240.257756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.257756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.257756 (E_RNA)
where:
Base-Base interactions energy: -153.041
where: short stacking energy: -72.433
Base-Backbone interact. energy: 2.162
local terms energy: -89.379008
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -231.101427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.101427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.101427 (E_RNA)
where:
Base-Base interactions energy: -136.058
where: short stacking energy: -66.446
Base-Backbone interact. energy: 0.109
local terms energy: -95.152161
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -11.416
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: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -199.502201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.502201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.502201 (E_RNA)
where:
Base-Base interactions energy: -120.172
where: short stacking energy: -56.740
Base-Backbone interact. energy: -0.253
local terms energy: -79.077123
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -125.401854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.401854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.401854 (E_RNA)
where:
Base-Base interactions energy: -45.804
where: short stacking energy: -38.608
Base-Backbone interact. energy: 0.465
local terms energy: -80.062706
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -333.667869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.667869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.667869 (E_RNA)
where:
Base-Base interactions energy: -217.608
where: short stacking energy: -110.834
Base-Backbone interact. energy: -0.127
local terms energy: -115.932951
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -33.993
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: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -305.405187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.405187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.405187 (E_RNA)
where:
Base-Base interactions energy: -190.363
where: short stacking energy: -95.119
Base-Backbone interact. energy: -0.002
local terms energy: -115.039471
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -28.377
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: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -317.257118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.257118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.257118 (E_RNA)
where:
Base-Base interactions energy: -199.391
where: short stacking energy: -96.909
Base-Backbone interact. energy: -0.123
local terms energy: -117.742955
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -27.193
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: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -273.053438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.053438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.053438 (E_RNA)
where:
Base-Base interactions energy: -165.566
where: short stacking energy: -81.098
Base-Backbone interact. energy: 0.653
local terms energy: -108.140659
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -261.364596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.364596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.364596 (E_RNA)
where:
Base-Base interactions energy: -157.018
where: short stacking energy: -86.801
Base-Backbone interact. energy: -0.037
local terms energy: -104.310121
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -20.855
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: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -242.637617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.637617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.637617 (E_RNA)
where:
Base-Base interactions energy: -149.003
where: short stacking energy: -75.572
Base-Backbone interact. energy: 0.338
local terms energy: -93.972542
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -236.831978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.831978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.831978 (E_RNA)
where:
Base-Base interactions energy: -137.518
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.215
local terms energy: -99.099056
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -13.336
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: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -207.923331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.923331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.923331 (E_RNA)
where:
Base-Base interactions energy: -115.160
where: short stacking energy: -50.129
Base-Backbone interact. energy: -0.135
local terms energy: -92.628186
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -15.621
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: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -210.039089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.039089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.039089 (E_RNA)
where:
Base-Base interactions energy: -130.020
where: short stacking energy: -53.602
Base-Backbone interact. energy: 2.316
local terms energy: -82.335217
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -98.524046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.524046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.524046 (E_RNA)
where:
Base-Base interactions energy: -26.323
where: short stacking energy: -21.215
Base-Backbone interact. energy: -0.419
local terms energy: -71.782447
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: 4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -344.179792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.179792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.179792 (E_RNA)
where:
Base-Base interactions energy: -218.245
where: short stacking energy: -113.236
Base-Backbone interact. energy: -0.106
local terms energy: -125.828821
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -27.303
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -33.948
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: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -313.139168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.139168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.139168 (E_RNA)
where:
Base-Base interactions energy: -199.383
where: short stacking energy: -100.304
Base-Backbone interact. energy: 0.102
local terms energy: -113.858265
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -311.071131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.071131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.071131 (E_RNA)
where:
Base-Base interactions energy: -200.391
where: short stacking energy: -95.894
Base-Backbone interact. energy: -0.031
local terms energy: -110.648442
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -31.034
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: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -268.458363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.458363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.458363 (E_RNA)
where:
Base-Base interactions energy: -168.233
where: short stacking energy: -81.878
Base-Backbone interact. energy: -0.083
local terms energy: -100.142093
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -257.835386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.835386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.835386 (E_RNA)
where:
Base-Base interactions energy: -161.484
where: short stacking energy: -76.086
Base-Backbone interact. energy: -0.935
local terms energy: -95.415916
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -13.046
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: 88
Temperature: 1.150000
Total energy: -243.469611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.469611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.469611 (E_RNA)
where:
Base-Base interactions energy: -152.023
where: short stacking energy: -74.828
Base-Backbone interact. energy: -0.635
local terms energy: -90.811299
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -17.828
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: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -259.959849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.959849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.959849 (E_RNA)
where:
Base-Base interactions energy: -160.192
where: short stacking energy: -73.407
Base-Backbone interact. energy: 0.428
local terms energy: -100.196077
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -225.612781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.612781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.612781 (E_RNA)
where:
Base-Base interactions energy: -140.711
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.588
local terms energy: -84.313243
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -210.838929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.838929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.838929 (E_RNA)
where:
Base-Base interactions energy: -129.592
where: short stacking energy: -59.489
Base-Backbone interact. energy: -0.793
local terms energy: -80.454068
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.814
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: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -118.228872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.228872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.228872 (E_RNA)
where:
Base-Base interactions energy: -46.498
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.421
local terms energy: -71.310684
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: 0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -334.039293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.039293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.039293 (E_RNA)
where:
Base-Base interactions energy: -211.560
where: short stacking energy: -108.680
Base-Backbone interact. energy: -0.335
local terms energy: -122.144805
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -31.789
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: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -324.751308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.751308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.751308 (E_RNA)
where:
Base-Base interactions energy: -205.926
where: short stacking energy: -108.216
Base-Backbone interact. energy: -0.534
local terms energy: -118.291326
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -25.360
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -28.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -301.285594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.285594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.285594 (E_RNA)
where:
Base-Base interactions energy: -190.384
where: short stacking energy: -97.671
Base-Backbone interact. energy: 0.359
local terms energy: -111.260845
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -267.915292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.915292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.915292 (E_RNA)
where:
Base-Base interactions energy: -164.847
where: short stacking energy: -90.307
Base-Backbone interact. energy: 0.151
local terms energy: -103.219049
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -259.735057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.735057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.735057 (E_RNA)
where:
Base-Base interactions energy: -154.205
where: short stacking energy: -87.004
Base-Backbone interact. energy: -0.215
local terms energy: -105.315498
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -23.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -243.103748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.103748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.103748 (E_RNA)
where:
Base-Base interactions energy: -158.680
where: short stacking energy: -60.855
Base-Backbone interact. energy: 0.122
local terms energy: -84.545409
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -231.289545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.289545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.289545 (E_RNA)
where:
Base-Base interactions energy: -144.924
where: short stacking energy: -67.185
Base-Backbone interact. energy: -0.145
local terms energy: -86.220474
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -221.944861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.944861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.944861 (E_RNA)
where:
Base-Base interactions energy: -136.654
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.458
local terms energy: -84.832312
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -226.009918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.009918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.009918 (E_RNA)
where:
Base-Base interactions energy: -139.571
where: short stacking energy: -62.644
Base-Backbone interact. energy: 0.604
local terms energy: -87.042937
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -98.216212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.216212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.216212 (E_RNA)
where:
Base-Base interactions energy: -20.527
where: short stacking energy: -19.583
Base-Backbone interact. energy: -0.855
local terms energy: -76.834130
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: 0.784
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: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -332.106007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.106007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.106007 (E_RNA)
where:
Base-Base interactions energy: -214.552
where: short stacking energy: -104.430
Base-Backbone interact. energy: -0.216
local terms energy: -117.337769
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -28.076
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: 90
Temperature: 0.950000
Total energy: -314.000046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.000046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.000046 (E_RNA)
where:
Base-Base interactions energy: -203.914
where: short stacking energy: -96.786
Base-Backbone interact. energy: -0.065
local terms energy: -110.020787
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -33.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -308.275495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.275495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.275495 (E_RNA)
where:
Base-Base interactions energy: -200.608
where: short stacking energy: -85.596
Base-Backbone interact. energy: -0.080
local terms energy: -107.586809
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -20.814
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: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -266.183808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.183808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.183808 (E_RNA)
where:
Base-Base interactions energy: -160.580
where: short stacking energy: -90.314
Base-Backbone interact. energy: -0.174
local terms energy: -105.429336
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -279.368058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.368058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.368058 (E_RNA)
where:
Base-Base interactions energy: -175.505
where: short stacking energy: -83.481
Base-Backbone interact. energy: -0.448
local terms energy: -103.414430
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -260.001739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.001739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.001739 (E_RNA)
where:
Base-Base interactions energy: -163.039
where: short stacking energy: -95.408
Base-Backbone interact. energy: -0.002
local terms energy: -96.960880
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -25.391
flat angles P-C4'-P energy: -12.085
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: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -227.357815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.357815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.357815 (E_RNA)
where:
Base-Base interactions energy: -134.179
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.230
local terms energy: -92.948796
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -18.431
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: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -220.864860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.864860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.864860 (E_RNA)
where:
Base-Base interactions energy: -131.484
where: short stacking energy: -71.480
Base-Backbone interact. energy: -0.590
local terms energy: -88.791435
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -199.230106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.230106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.230106 (E_RNA)
where:
Base-Base interactions energy: -112.511
where: short stacking energy: -60.489
Base-Backbone interact. energy: -0.984
local terms energy: -85.734515
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -26.871
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -113.592371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.592371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.592371 (E_RNA)
where:
Base-Base interactions energy: -38.420
where: short stacking energy: -35.957
Base-Backbone interact. energy: -0.193
local terms energy: -74.979703
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -347.186712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.186712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.186712 (E_RNA)
where:
Base-Base interactions energy: -223.329
where: short stacking energy: -112.433
Base-Backbone interact. energy: -0.108
local terms energy: -123.750033
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -27.908
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -30.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -313.909694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.909694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.909694 (E_RNA)
where:
Base-Base interactions energy: -208.523
where: short stacking energy: -101.085
Base-Backbone interact. energy: 0.840
local terms energy: -106.226601
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -314.546212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.546212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.546212 (E_RNA)
where:
Base-Base interactions energy: -204.998
where: short stacking energy: -101.988
Base-Backbone interact. energy: -0.477
local terms energy: -109.071267
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -24.608
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -26.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -272.544488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.544488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.544488 (E_RNA)
where:
Base-Base interactions energy: -172.310
where: short stacking energy: -91.965
Base-Backbone interact. energy: -0.019
local terms energy: -100.215598
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -25.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -258.460212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.460212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.460212 (E_RNA)
where:
Base-Base interactions energy: -152.971
where: short stacking energy: -80.307
Base-Backbone interact. energy: -0.076
local terms energy: -105.412797
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -26.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -249.763583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.763583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.763583 (E_RNA)
where:
Base-Base interactions energy: -147.124
where: short stacking energy: -76.796
Base-Backbone interact. energy: 1.718
local terms energy: -104.358278
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -228.683416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.683416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.683416 (E_RNA)
where:
Base-Base interactions energy: -140.684
where: short stacking energy: -67.529
Base-Backbone interact. energy: -0.665
local terms energy: -87.334190
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -233.684417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.684417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.684417 (E_RNA)
where:
Base-Base interactions energy: -142.402
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.189
local terms energy: -91.092898
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -213.122481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.122481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.122481 (E_RNA)
where:
Base-Base interactions energy: -120.871
where: short stacking energy: -55.412
Base-Backbone interact. energy: -0.227
local terms energy: -92.024722
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -10.587
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: 91
Temperature: 1.350000
Total energy: -112.674241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.674241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.674241 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -38.725
Base-Backbone interact. energy: -0.211
local terms energy: -73.214116
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -335.017080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.017080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.017080 (E_RNA)
where:
Base-Base interactions energy: -214.761
where: short stacking energy: -105.166
Base-Backbone interact. energy: -0.300
local terms energy: -119.955690
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -32.076
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -314.444816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.444816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.444816 (E_RNA)
where:
Base-Base interactions energy: -198.120
where: short stacking energy: -97.918
Base-Backbone interact. energy: -0.478
local terms energy: -115.846612
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -28.040
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: 92
Temperature: 1.000000
Total energy: -302.019955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.019955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.019955 (E_RNA)
where:
Base-Base interactions energy: -189.899
where: short stacking energy: -97.417
Base-Backbone interact. energy: -2.212
local terms energy: -109.908557
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -26.216
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -280.938678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.938678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.938678 (E_RNA)
where:
Base-Base interactions energy: -176.097
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.182
local terms energy: -104.659483
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -28.050
flat angles P-C4'-P energy: -14.575
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: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -244.305513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.305513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.305513 (E_RNA)
where:
Base-Base interactions energy: -161.096
where: short stacking energy: -67.011
Base-Backbone interact. energy: -0.091
local terms energy: -83.118111
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -241.452056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.452056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.452056 (E_RNA)
where:
Base-Base interactions energy: -147.467
where: short stacking energy: -63.796
Base-Backbone interact. energy: -0.154
local terms energy: -93.831348
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -12.248
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: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -253.680554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.680554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.680554 (E_RNA)
where:
Base-Base interactions energy: -164.945
where: short stacking energy: -83.918
Base-Backbone interact. energy: -0.235
local terms energy: -88.500123
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -18.572
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: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -229.183522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.183522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.183522 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.125
local terms energy: -88.101676
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -210.853844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.853844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.853844 (E_RNA)
where:
Base-Base interactions energy: -129.092
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.217
local terms energy: -81.545586
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -9.770
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: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -106.874518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.874518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.874518 (E_RNA)
where:
Base-Base interactions energy: -32.373
where: short stacking energy: -30.437
Base-Backbone interact. energy: -0.428
local terms energy: -74.073642
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: 0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -340.933361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.933361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.933361 (E_RNA)
where:
Base-Base interactions energy: -226.058
where: short stacking energy: -104.604
Base-Backbone interact. energy: -0.157
local terms energy: -114.717828
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -311.424768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.424768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.424768 (E_RNA)
where:
Base-Base interactions energy: -203.255
where: short stacking energy: -92.778
Base-Backbone interact. energy: -0.210
local terms energy: -107.959811
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -314.685219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.685219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.685219 (E_RNA)
where:
Base-Base interactions energy: -210.569
where: short stacking energy: -92.234
Base-Backbone interact. energy: -0.501
local terms energy: -103.615631
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -276.018749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.018749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.018749 (E_RNA)
where:
Base-Base interactions energy: -173.042
where: short stacking energy: -85.264
Base-Backbone interact. energy: -0.186
local terms energy: -102.790434
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -271.682615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.682615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.682615 (E_RNA)
where:
Base-Base interactions energy: -175.384
where: short stacking energy: -83.652
Base-Backbone interact. energy: -0.063
local terms energy: -96.236204
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -236.114750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.114750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.114750 (E_RNA)
where:
Base-Base interactions energy: -144.346
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.304
local terms energy: -91.464834
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -219.080125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.080125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.080125 (E_RNA)
where:
Base-Base interactions energy: -125.689
where: short stacking energy: -62.689
Base-Backbone interact. energy: -0.563
local terms energy: -92.828571
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -233.395053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.395053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.395053 (E_RNA)
where:
Base-Base interactions energy: -148.458
where: short stacking energy: -60.223
Base-Backbone interact. energy: -1.141
local terms energy: -83.795632
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -229.608798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.608798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.608798 (E_RNA)
where:
Base-Base interactions energy: -132.954
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.277
local terms energy: -96.378039
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -94.765689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.765689 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -24.157
Base-Backbone interact. energy: -0.202
local terms energy: -62.825362
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -345.611224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.611224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.611224 (E_RNA)
where:
Base-Base interactions energy: -223.581
where: short stacking energy: -104.937
Base-Backbone interact. energy: -0.001
local terms energy: -122.028862
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -32.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -325.724780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.724780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.724780 (E_RNA)
where:
Base-Base interactions energy: -209.131
where: short stacking energy: -102.823
Base-Backbone interact. energy: -0.555
local terms energy: -116.038843
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -30.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -327.739673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.739673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.739673 (E_RNA)
where:
Base-Base interactions energy: -207.769
where: short stacking energy: -100.771
Base-Backbone interact. energy: -0.211
local terms energy: -119.759424
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -28.451
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: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -277.897126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.897126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.897126 (E_RNA)
where:
Base-Base interactions energy: -186.299
where: short stacking energy: -86.641
Base-Backbone interact. energy: -0.219
local terms energy: -91.378935
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -20.346
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: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -259.502023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.502023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.502023 (E_RNA)
where:
Base-Base interactions energy: -157.579
where: short stacking energy: -82.360
Base-Backbone interact. energy: 0.033
local terms energy: -101.955270
where:
bonds (distance) C4'-P energy: -24.518
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -10.482
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: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -252.206705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.206705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.206705 (E_RNA)
where:
Base-Base interactions energy: -152.904
where: short stacking energy: -74.920
Base-Backbone interact. energy: -0.066
local terms energy: -99.236540
where:
bonds (distance) C4'-P energy: -25.403
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -22.881
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: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -253.795836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.795836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.795836 (E_RNA)
where:
Base-Base interactions energy: -163.076
where: short stacking energy: -78.128
Base-Backbone interact. energy: 1.645
local terms energy: -92.364708
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -17.352
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: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -233.548398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548398 (E_RNA)
where:
Base-Base interactions energy: -139.380
where: short stacking energy: -70.329
Base-Backbone interact. energy: 1.565
local terms energy: -95.733198
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -12.258
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: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -111.580916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.580916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.580916 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -32.088
Base-Backbone interact. energy: -0.259
local terms energy: -79.233760
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -192.109133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.109133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.109133 (E_RNA)
where:
Base-Base interactions energy: -111.485
where: short stacking energy: -53.645
Base-Backbone interact. energy: -0.217
local terms energy: -80.407786
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -15.273
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: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -329.781357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.781357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.781357 (E_RNA)
where:
Base-Base interactions energy: -212.414
where: short stacking energy: -103.396
Base-Backbone interact. energy: -0.444
local terms energy: -116.922882
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -30.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -328.984964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.984964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.984964 (E_RNA)
where:
Base-Base interactions energy: -215.094
where: short stacking energy: -98.476
Base-Backbone interact. energy: -0.719
local terms energy: -113.172411
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -25.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -313.625594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.625594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.625594 (E_RNA)
where:
Base-Base interactions energy: -202.344
where: short stacking energy: -97.667
Base-Backbone interact. energy: -0.256
local terms energy: -111.026152
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -247.826362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.826362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.826362 (E_RNA)
where:
Base-Base interactions energy: -151.031
where: short stacking energy: -84.055
Base-Backbone interact. energy: -0.010
local terms energy: -96.784886
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -25.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -244.677899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.677899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.677899 (E_RNA)
where:
Base-Base interactions energy: -145.743
where: short stacking energy: -56.699
Base-Backbone interact. energy: -1.461
local terms energy: -97.473075
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -246.628267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.628267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.628267 (E_RNA)
where:
Base-Base interactions energy: -154.773
where: short stacking energy: -82.595
Base-Backbone interact. energy: -0.233
local terms energy: -91.622481
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.114
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: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -253.213392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.213392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.213392 (E_RNA)
where:
Base-Base interactions energy: -159.622
where: short stacking energy: -85.530
Base-Backbone interact. energy: -0.174
local terms energy: -93.416863
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -244.169931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.169931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.169931 (E_RNA)
where:
Base-Base interactions energy: -150.720
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.424
local terms energy: -93.025926
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -124.746312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.746312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.746312 (E_RNA)
where:
Base-Base interactions energy: -54.892
where: short stacking energy: -41.497
Base-Backbone interact. energy: 0.855
local terms energy: -70.709887
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -198.053949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.053949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.053949 (E_RNA)
where:
Base-Base interactions energy: -123.214
where: short stacking energy: -58.376
Base-Backbone interact. energy: -0.886
local terms energy: -73.953742
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -339.628279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.628279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.628279 (E_RNA)
where:
Base-Base interactions energy: -222.347
where: short stacking energy: -109.350
Base-Backbone interact. energy: -0.117
local terms energy: -117.164069
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -31.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -309.100298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.100298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.100298 (E_RNA)
where:
Base-Base interactions energy: -192.576
where: short stacking energy: -83.639
Base-Backbone interact. energy: -0.686
local terms energy: -115.838178
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -24.032
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: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -307.960775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.960775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.960775 (E_RNA)
where:
Base-Base interactions energy: -189.116
where: short stacking energy: -103.836
Base-Backbone interact. energy: -0.121
local terms energy: -118.724128
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -34.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -262.199044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.199044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.199044 (E_RNA)
where:
Base-Base interactions energy: -164.408
where: short stacking energy: -82.605
Base-Backbone interact. energy: -0.089
local terms energy: -97.702046
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -262.098102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.098102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.098102 (E_RNA)
where:
Base-Base interactions energy: -169.678
where: short stacking energy: -81.492
Base-Backbone interact. energy: -0.080
local terms energy: -92.340176
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -13.594
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: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -223.466579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.466579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.466579 (E_RNA)
where:
Base-Base interactions energy: -126.526
where: short stacking energy: -53.278
Base-Backbone interact. energy: -1.580
local terms energy: -95.359866
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -10.639
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: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -247.471997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.471997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.471997 (E_RNA)
where:
Base-Base interactions energy: -146.878
where: short stacking energy: -70.797
Base-Backbone interact. energy: 0.416
local terms energy: -101.009946
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -235.252428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.252428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.252428 (E_RNA)
where:
Base-Base interactions energy: -144.388
where: short stacking energy: -68.541
Base-Backbone interact. energy: 0.356
local terms energy: -91.220806
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -16.193
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: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -203.303212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.303212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.303212 (E_RNA)
where:
Base-Base interactions energy: -125.121
where: short stacking energy: -52.863
Base-Backbone interact. energy: -1.122
local terms energy: -77.060892
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -107.059959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.059959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.059959 (E_RNA)
where:
Base-Base interactions energy: -41.656
where: short stacking energy: -29.378
Base-Backbone interact. energy: -0.062
local terms energy: -65.341832
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -2.649
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: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -320.019277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.019277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.019277 (E_RNA)
where:
Base-Base interactions energy: -207.561
where: short stacking energy: -97.868
Base-Backbone interact. energy: -0.284
local terms energy: -112.174163
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -27.719
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: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -336.340957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.340957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.340957 (E_RNA)
where:
Base-Base interactions energy: -206.179
where: short stacking energy: -109.353
Base-Backbone interact. energy: -0.017
local terms energy: -130.144938
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -34.162
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: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -316.783583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.783583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.783583 (E_RNA)
where:
Base-Base interactions energy: -207.545
where: short stacking energy: -101.899
Base-Backbone interact. energy: -0.275
local terms energy: -108.962940
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -27.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -266.929506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.929506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.929506 (E_RNA)
where:
Base-Base interactions energy: -167.053
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.027
local terms energy: -99.849838
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -20.568
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: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -263.287381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.287381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.287381 (E_RNA)
where:
Base-Base interactions energy: -162.316
where: short stacking energy: -81.190
Base-Backbone interact. energy: -0.203
local terms energy: -100.767993
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -242.406679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.406679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.406679 (E_RNA)
where:
Base-Base interactions energy: -147.633
where: short stacking energy: -68.923
Base-Backbone interact. energy: 1.013
local terms energy: -95.786619
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -16.472
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: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -200.149882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.149882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.149882 (E_RNA)
where:
Base-Base interactions energy: -112.066
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.349
local terms energy: -87.735129
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -197.420844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.420844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.420844 (E_RNA)
where:
Base-Base interactions energy: -113.882
where: short stacking energy: -56.384
Base-Backbone interact. energy: 0.601
local terms energy: -84.140100
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -14.246
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: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -206.642104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.642104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.642104 (E_RNA)
where:
Base-Base interactions energy: -126.394
where: short stacking energy: -64.437
Base-Backbone interact. energy: 2.931
local terms energy: -83.179810
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -10.807
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: 97
Temperature: 1.350000
Total energy: -110.672252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.672252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.672252 (E_RNA)
where:
Base-Base interactions energy: -31.244
where: short stacking energy: -31.244
Base-Backbone interact. energy: -0.039
local terms energy: -79.390127
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -6.027
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: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -336.820102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.820102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.820102 (E_RNA)
where:
Base-Base interactions energy: -216.955
where: short stacking energy: -93.283
Base-Backbone interact. energy: -0.180
local terms energy: -119.685289
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -27.460
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -25.603
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: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -316.883467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.883467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.883467 (E_RNA)
where:
Base-Base interactions energy: -207.272
where: short stacking energy: -85.933
Base-Backbone interact. energy: 0.459
local terms energy: -110.070077
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -26.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -277.201189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.201189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.201189 (E_RNA)
where:
Base-Base interactions energy: -171.363
where: short stacking energy: -86.664
Base-Backbone interact. energy: -0.189
local terms energy: -105.649686
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -28.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -302.477165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.477165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.477165 (E_RNA)
where:
Base-Base interactions energy: -208.315
where: short stacking energy: -95.173
Base-Backbone interact. energy: -0.024
local terms energy: -94.138589
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -27.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -263.166357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.166357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.166357 (E_RNA)
where:
Base-Base interactions energy: -179.561
where: short stacking energy: -75.899
Base-Backbone interact. energy: -0.195
local terms energy: -83.410127
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -245.775104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.775104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.775104 (E_RNA)
where:
Base-Base interactions energy: -165.602
where: short stacking energy: -69.555
Base-Backbone interact. energy: -0.242
local terms energy: -79.931235
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -217.386479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.386479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.386479 (E_RNA)
where:
Base-Base interactions energy: -131.726
where: short stacking energy: -53.795
Base-Backbone interact. energy: -0.582
local terms energy: -85.078595
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -210.500379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.500379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.500379 (E_RNA)
where:
Base-Base interactions energy: -146.851
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.267
local terms energy: -63.382641
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -223.568904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.568904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.568904 (E_RNA)
where:
Base-Base interactions energy: -139.725
where: short stacking energy: -78.437
Base-Backbone interact. energy: -0.797
local terms energy: -83.046914
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -21.151
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: 98
Temperature: 1.350000
Total energy: -115.872909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.872909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.872909 (E_RNA)
where:
Base-Base interactions energy: -47.062
where: short stacking energy: -23.950
Base-Backbone interact. energy: -0.633
local terms energy: -68.177319
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -333.154656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.154656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.154656 (E_RNA)
where:
Base-Base interactions energy: -217.786
where: short stacking energy: -103.575
Base-Backbone interact. energy: 0.275
local terms energy: -115.643586
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -29.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -268.728511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.728511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.728511 (E_RNA)
where:
Base-Base interactions energy: -171.100
where: short stacking energy: -90.976
Base-Backbone interact. energy: -0.104
local terms energy: -97.525045
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -316.100830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.100830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.100830 (E_RNA)
where:
Base-Base interactions energy: -203.548
where: short stacking energy: -105.497
Base-Backbone interact. energy: 0.422
local terms energy: -112.975759
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -24.765
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: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -311.612653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.612653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.612653 (E_RNA)
where:
Base-Base interactions energy: -205.004
where: short stacking energy: -99.972
Base-Backbone interact. energy: 0.396
local terms energy: -107.004807
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -259.430321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.430321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.430321 (E_RNA)
where:
Base-Base interactions energy: -154.879
where: short stacking energy: -80.778
Base-Backbone interact. energy: -0.097
local terms energy: -104.453757
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -244.531688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.531688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.531688 (E_RNA)
where:
Base-Base interactions energy: -149.612
where: short stacking energy: -75.501
Base-Backbone interact. energy: -0.403
local terms energy: -94.517181
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -223.999653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.999653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.999653 (E_RNA)
where:
Base-Base interactions energy: -135.898
where: short stacking energy: -57.917
Base-Backbone interact. energy: 0.520
local terms energy: -88.620919
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -13.066
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: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -229.285848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.285848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.285848 (E_RNA)
where:
Base-Base interactions energy: -143.895
where: short stacking energy: -74.191
Base-Backbone interact. energy: -0.091
local terms energy: -85.300817
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -187.617984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.617984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.617984 (E_RNA)
where:
Base-Base interactions energy: -99.956
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.131
local terms energy: -87.530599
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -10.869
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: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -103.991092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.991092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.991092 (E_RNA)
where:
Base-Base interactions energy: -35.441
where: short stacking energy: -35.441
Base-Backbone interact. energy: 1.336
local terms energy: -69.886730
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -352.885619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.885619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.885619 (E_RNA)
where:
Base-Base interactions energy: -234.322
where: short stacking energy: -101.104
Base-Backbone interact. energy: -0.024
local terms energy: -118.538775
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.919
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -29.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -281.486428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.486428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.486428 (E_RNA)
where:
Base-Base interactions energy: -161.350
where: short stacking energy: -88.870
Base-Backbone interact. energy: -0.351
local terms energy: -119.785119
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -26.554
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: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -322.745752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.745752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.745752 (E_RNA)
where:
Base-Base interactions energy: -205.576
where: short stacking energy: -103.203
Base-Backbone interact. energy: 0.074
local terms energy: -117.243522
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -32.227
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: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -309.167235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.167235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.167235 (E_RNA)
where:
Base-Base interactions energy: -201.849
where: short stacking energy: -93.610
Base-Backbone interact. energy: -0.317
local terms energy: -107.001716
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -24.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -257.739389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.739389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.739389 (E_RNA)
where:
Base-Base interactions energy: -161.423
where: short stacking energy: -82.742
Base-Backbone interact. energy: -0.008
local terms energy: -96.308695
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -244.278111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.278111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.278111 (E_RNA)
where:
Base-Base interactions energy: -143.960
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.813
local terms energy: -99.505795
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -25.239
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -23.396
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: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -239.095534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.095534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.095534 (E_RNA)
where:
Base-Base interactions energy: -150.603
where: short stacking energy: -81.013
Base-Backbone interact. energy: -0.098
local terms energy: -88.395096
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -221.636384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.636384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.636384 (E_RNA)
where:
Base-Base interactions energy: -131.598
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.089
local terms energy: -89.948728
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -219.254719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.254719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.254719 (E_RNA)
where:
Base-Base interactions energy: -129.953
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.224
local terms energy: -89.077995
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -16.987
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: 100
Temperature: 1.350000
Total energy: -104.160498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.160498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.160498 (E_RNA)
where:
Base-Base interactions energy: -34.941
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.276
local terms energy: -68.942834
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -0.163
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: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -350.745621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.745621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.745621 (E_RNA)
where:
Base-Base interactions energy: -242.030
where: short stacking energy: -97.181
Base-Backbone interact. energy: -1.765
local terms energy: -106.950764
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -29.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -307.739491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.739491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.739491 (E_RNA)
where:
Base-Base interactions energy: -194.656
where: short stacking energy: -88.063
Base-Backbone interact. energy: 0.462
local terms energy: -113.545661
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -26.220
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -22.678
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: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -278.711330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.711330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.711330 (E_RNA)
where:
Base-Base interactions energy: -164.818
where: short stacking energy: -86.682
Base-Backbone interact. energy: -0.012
local terms energy: -113.881021
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -25.390
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -305.661262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.661262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.661262 (E_RNA)
where:
Base-Base interactions energy: -202.958
where: short stacking energy: -80.245
Base-Backbone interact. energy: -0.690
local terms energy: -102.013696
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -275.639201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.639201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.639201 (E_RNA)
where:
Base-Base interactions energy: -179.196
where: short stacking energy: -87.311
Base-Backbone interact. energy: -0.336
local terms energy: -96.106693
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -19.766
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: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -230.423657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.423657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.423657 (E_RNA)
where:
Base-Base interactions energy: -136.873
where: short stacking energy: -64.624
Base-Backbone interact. energy: -0.307
local terms energy: -93.244107
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -224.269457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.269457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.269457 (E_RNA)
where:
Base-Base interactions energy: -128.851
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.014
local terms energy: -95.403864
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -219.890736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.890736 (E_RNA)
where:
Base-Base interactions energy: -125.351
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.045
local terms energy: -94.495181
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -24.175
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -12.005
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: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -216.863648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.863648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.863648 (E_RNA)
where:
Base-Base interactions energy: -134.671
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.208
local terms energy: -81.985203
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -104.132689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.132689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.132689 (E_RNA)
where:
Base-Base interactions energy: -48.250
where: short stacking energy: -43.839
Base-Backbone interact. energy: 2.901
local terms energy: -58.783988
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -353.770735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.770735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.770735 (E_RNA)
where:
Base-Base interactions energy: -238.306
where: short stacking energy: -107.466
Base-Backbone interact. energy: 0.004
local terms energy: -115.469449
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -27.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -320.000361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.000361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.000361 (E_RNA)
where:
Base-Base interactions energy: -201.445
where: short stacking energy: -96.528
Base-Backbone interact. energy: -0.028
local terms energy: -118.526511
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -27.534
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -30.995
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: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -306.689323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.689323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.689323 (E_RNA)
where:
Base-Base interactions energy: -190.911
where: short stacking energy: -89.277
Base-Backbone interact. energy: 0.032
local terms energy: -115.809909
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -27.839
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: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -266.117363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.117363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.117363 (E_RNA)
where:
Base-Base interactions energy: -154.136
where: short stacking energy: -86.916
Base-Backbone interact. energy: -0.183
local terms energy: -111.798643
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -26.040
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -256.158518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.158518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.158518 (E_RNA)
where:
Base-Base interactions energy: -163.301
where: short stacking energy: -90.313
Base-Backbone interact. energy: 0.061
local terms energy: -92.918030
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -20.636
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: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -240.918493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.918493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.918493 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -82.069
Base-Backbone interact. energy: 0.194
local terms energy: -95.320940
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -240.215788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.215788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.215788 (E_RNA)
where:
Base-Base interactions energy: -143.974
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.614
local terms energy: -95.628025
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -18.874
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: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -198.905428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.905428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.905428 (E_RNA)
where:
Base-Base interactions energy: -119.167
where: short stacking energy: -55.028
Base-Backbone interact. energy: -0.813
local terms energy: -78.925193
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -8.966
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: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -212.280484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.280484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.280484 (E_RNA)
where:
Base-Base interactions energy: -113.289
where: short stacking energy: -57.279
Base-Backbone interact. energy: -0.995
local terms energy: -97.995973
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -16.136
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: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -103.125395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.125395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.125395 (E_RNA)
where:
Base-Base interactions energy: -24.971
where: short stacking energy: -24.834
Base-Backbone interact. energy: 1.052
local terms energy: -79.206264
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -3.650
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: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -350.201470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.201470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.201470 (E_RNA)
where:
Base-Base interactions energy: -230.054
where: short stacking energy: -101.102
Base-Backbone interact. energy: -0.444
local terms energy: -119.703733
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -32.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -318.034658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.034658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.034658 (E_RNA)
where:
Base-Base interactions energy: -204.907
where: short stacking energy: -101.523
Base-Backbone interact. energy: -0.096
local terms energy: -113.031873
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -23.906
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -26.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -320.161145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.161145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.161145 (E_RNA)
where:
Base-Base interactions energy: -205.701
where: short stacking energy: -103.729
Base-Backbone interact. energy: -0.129
local terms energy: -114.331045
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -32.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -279.837021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.837021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.837021 (E_RNA)
where:
Base-Base interactions energy: -164.408
where: short stacking energy: -85.604
Base-Backbone interact. energy: -0.104
local terms energy: -115.325634
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -268.651478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.651478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.651478 (E_RNA)
where:
Base-Base interactions energy: -171.597
where: short stacking energy: -86.378
Base-Backbone interact. energy: 0.138
local terms energy: -97.192164
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -253.174193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.174193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.174193 (E_RNA)
where:
Base-Base interactions energy: -156.097
where: short stacking energy: -65.148
Base-Backbone interact. energy: -0.369
local terms energy: -96.707636
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -19.572
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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -232.881153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.881153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.881153 (E_RNA)
where:
Base-Base interactions energy: -138.313
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.243
local terms energy: -94.324684
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -216.132435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.132435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.132435 (E_RNA)
where:
Base-Base interactions energy: -129.913
where: short stacking energy: -50.221
Base-Backbone interact. energy: -0.705
local terms energy: -85.514028
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -187.817091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.817091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.817091 (E_RNA)
where:
Base-Base interactions energy: -98.761
where: short stacking energy: -46.298
Base-Backbone interact. energy: -0.120
local terms energy: -88.936508
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -104.588520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.588520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.588520 (E_RNA)
where:
Base-Base interactions energy: -29.156
where: short stacking energy: -28.863
Base-Backbone interact. energy: -0.150
local terms energy: -75.282261
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: 1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -325.441342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.441342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.441342 (E_RNA)
where:
Base-Base interactions energy: -208.219
where: short stacking energy: -94.457
Base-Backbone interact. energy: 0.335
local terms energy: -117.556656
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -32.955
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: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -341.498108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.498108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.498108 (E_RNA)
where:
Base-Base interactions energy: -226.140
where: short stacking energy: -108.855
Base-Backbone interact. energy: -0.016
local terms energy: -115.341646
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -34.193
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: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -324.076172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.076172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.076172 (E_RNA)
where:
Base-Base interactions energy: -200.820
where: short stacking energy: -96.726
Base-Backbone interact. energy: -0.012
local terms energy: -123.243256
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -27.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -293.739046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.739046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.739046 (E_RNA)
where:
Base-Base interactions energy: -190.554
where: short stacking energy: -98.515
Base-Backbone interact. energy: -0.199
local terms energy: -102.985180
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -249.060263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.060263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.060263 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.003
local terms energy: -101.041637
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -19.736
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -275.119675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.119675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.119675 (E_RNA)
where:
Base-Base interactions energy: -177.327
where: short stacking energy: -77.807
Base-Backbone interact. energy: -0.076
local terms energy: -97.716488
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -22.567
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: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -227.773837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.773837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.773837 (E_RNA)
where:
Base-Base interactions energy: -145.149
where: short stacking energy: -59.375
Base-Backbone interact. energy: 1.868
local terms energy: -84.492517
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -234.614813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.614813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.614813 (E_RNA)
where:
Base-Base interactions energy: -146.838
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.235
local terms energy: -87.542302
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -192.879499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.879499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.879499 (E_RNA)
where:
Base-Base interactions energy: -104.488
where: short stacking energy: -47.850
Base-Backbone interact. energy: -0.745
local terms energy: -87.646478
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -107.590514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.590514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.590514 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -24.982
Base-Backbone interact. energy: 0.026
local terms energy: -75.325607
where:
bonds (distance) C4'-P energy: -22.689
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -344.791849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.791849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.791849 (E_RNA)
where:
Base-Base interactions energy: -219.563
where: short stacking energy: -109.594
Base-Backbone interact. energy: -0.098
local terms energy: -125.130939
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -27.058
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -28.429
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: 105
Temperature: 0.950000
Total energy: -354.901862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.901862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.901862 (E_RNA)
where:
Base-Base interactions energy: -235.664
where: short stacking energy: -109.047
Base-Backbone interact. energy: -0.132
local terms energy: -119.105133
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -31.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -301.955575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.955575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.955575 (E_RNA)
where:
Base-Base interactions energy: -195.330
where: short stacking energy: -98.020
Base-Backbone interact. energy: 2.508
local terms energy: -109.133147
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -31.188
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -287.060139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.060139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.060139 (E_RNA)
where:
Base-Base interactions energy: -184.722
where: short stacking energy: -90.802
Base-Backbone interact. energy: 0.936
local terms energy: -103.274564
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -265.157156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.157156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.157156 (E_RNA)
where:
Base-Base interactions energy: -161.590
where: short stacking energy: -73.773
Base-Backbone interact. energy: -0.234
local terms energy: -103.333205
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -15.952
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: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -245.972492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.972492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.972492 (E_RNA)
where:
Base-Base interactions energy: -148.970
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.210
local terms energy: -96.792493
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -14.769
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: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -261.851415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.851415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.851415 (E_RNA)
where:
Base-Base interactions energy: -173.684
where: short stacking energy: -85.476
Base-Backbone interact. energy: -0.191
local terms energy: -87.976362
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -13.620
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: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -229.265205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.265205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.265205 (E_RNA)
where:
Base-Base interactions energy: -148.529
where: short stacking energy: -74.535
Base-Backbone interact. energy: -0.622
local terms energy: -80.113379
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.695
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: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -174.402985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.402985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.402985 (E_RNA)
where:
Base-Base interactions energy: -97.985
where: short stacking energy: -46.114
Base-Backbone interact. energy: 5.508
local terms energy: -81.925795
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -10.238
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: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -106.267730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.267730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.267730 (E_RNA)
where:
Base-Base interactions energy: -46.585
where: short stacking energy: -43.062
Base-Backbone interact. energy: 2.262
local terms energy: -61.944530
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: 8.072
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: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -365.267335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.267335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.267335 (E_RNA)
where:
Base-Base interactions energy: -242.183
where: short stacking energy: -108.013
Base-Backbone interact. energy: 1.423
local terms energy: -124.508037
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -23.914
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -35.549
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: 106
Temperature: 0.950000
Total energy: -333.929594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.929594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.929594 (E_RNA)
where:
Base-Base interactions energy: -214.181
where: short stacking energy: -105.601
Base-Backbone interact. energy: -0.113
local terms energy: -119.635655
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -34.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -313.883843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.883843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.883843 (E_RNA)
where:
Base-Base interactions energy: -201.115
where: short stacking energy: -94.115
Base-Backbone interact. energy: -0.095
local terms energy: -112.673690
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -275.107920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.107920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.107920 (E_RNA)
where:
Base-Base interactions energy: -166.387
where: short stacking energy: -78.289
Base-Backbone interact. energy: 0.417
local terms energy: -109.138190
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -255.177519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.177519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.177519 (E_RNA)
where:
Base-Base interactions energy: -151.334
where: short stacking energy: -68.855
Base-Backbone interact. energy: -0.490
local terms energy: -103.354187
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -238.170176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.170176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.170176 (E_RNA)
where:
Base-Base interactions energy: -147.485
where: short stacking energy: -72.914
Base-Backbone interact. energy: -1.122
local terms energy: -89.562960
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -247.289505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.289505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.289505 (E_RNA)
where:
Base-Base interactions energy: -150.599
where: short stacking energy: -78.436
Base-Backbone interact. energy: -0.226
local terms energy: -96.464806
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -22.541
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: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -227.228639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.228639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.228639 (E_RNA)
where:
Base-Base interactions energy: -144.842
where: short stacking energy: -61.992
Base-Backbone interact. energy: -0.191
local terms energy: -82.196538
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -159.679847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.679847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.679847 (E_RNA)
where:
Base-Base interactions energy: -82.361
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.209
local terms energy: -77.109614
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -113.037299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.037299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.037299 (E_RNA)
where:
Base-Base interactions energy: -41.927
where: short stacking energy: -38.827
Base-Backbone interact. energy: 1.122
local terms energy: -72.232387
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -4.447
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: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -373.481140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.481140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.481140 (E_RNA)
where:
Base-Base interactions energy: -249.847
where: short stacking energy: -113.047
Base-Backbone interact. energy: -0.100
local terms energy: -123.533458
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -36.463
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: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -307.911103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.911103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.911103 (E_RNA)
where:
Base-Base interactions energy: -188.952
where: short stacking energy: -101.847
Base-Backbone interact. energy: -0.928
local terms energy: -118.031118
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -320.586356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.586356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.586356 (E_RNA)
where:
Base-Base interactions energy: -211.994
where: short stacking energy: -101.936
Base-Backbone interact. energy: -0.287
local terms energy: -108.305803
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -26.979
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: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -267.562206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.562206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.562206 (E_RNA)
where:
Base-Base interactions energy: -173.636
where: short stacking energy: -79.264
Base-Backbone interact. energy: -0.118
local terms energy: -93.808981
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -8.157
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: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -262.136743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.136743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.136743 (E_RNA)
where:
Base-Base interactions energy: -163.967
where: short stacking energy: -81.458
Base-Backbone interact. energy: 0.319
local terms energy: -98.488941
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -10.838
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: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -251.472130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.472130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.472130 (E_RNA)
where:
Base-Base interactions energy: -157.963
where: short stacking energy: -80.607
Base-Backbone interact. energy: -0.095
local terms energy: -93.414841
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -232.103576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.103576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.103576 (E_RNA)
where:
Base-Base interactions energy: -144.625
where: short stacking energy: -65.529
Base-Backbone interact. energy: -0.186
local terms energy: -87.293440
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -10.244
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: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -115.118077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.118077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.118077 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -26.945
Base-Backbone interact. energy: -0.537
local terms energy: -77.408940
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -14.672
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: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -215.395411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.395411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.395411 (E_RNA)
where:
Base-Base interactions energy: -125.920
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.301
local terms energy: -89.174883
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -13.477
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: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -111.168650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.168650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.168650 (E_RNA)
where:
Base-Base interactions energy: -42.116
where: short stacking energy: -41.731
Base-Backbone interact. energy: 0.739
local terms energy: -69.791644
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -24.812
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -377.769467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.769467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.769467 (E_RNA)
where:
Base-Base interactions energy: -248.360
where: short stacking energy: -113.051
Base-Backbone interact. energy: -0.197
local terms energy: -129.212656
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -37.760
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: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -327.379475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.379475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.379475 (E_RNA)
where:
Base-Base interactions energy: -205.317
where: short stacking energy: -102.909
Base-Backbone interact. energy: -0.236
local terms energy: -121.826562
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -26.131
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -31.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -309.089984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.089984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.089984 (E_RNA)
where:
Base-Base interactions energy: -189.158
where: short stacking energy: -95.854
Base-Backbone interact. energy: -0.019
local terms energy: -119.912517
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -31.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -262.056222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.056222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.056222 (E_RNA)
where:
Base-Base interactions energy: -164.062
where: short stacking energy: -86.980
Base-Backbone interact. energy: -1.881
local terms energy: -96.113429
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -27.236
flat angles P-C4'-P energy: -12.048
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: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -254.357443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.357443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.357443 (E_RNA)
where:
Base-Base interactions energy: -159.354
where: short stacking energy: -86.199
Base-Backbone interact. energy: 0.932
local terms energy: -95.934666
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -234.769692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.769692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.769692 (E_RNA)
where:
Base-Base interactions energy: -142.982
where: short stacking energy: -74.857
Base-Backbone interact. energy: -0.547
local terms energy: -91.241025
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -231.183806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.183806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.183806 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.830
local terms energy: -87.150771
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -125.397228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.397228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.397228 (E_RNA)
where:
Base-Base interactions energy: -52.038
where: short stacking energy: -41.950
Base-Backbone interact. energy: -1.020
local terms energy: -72.338833
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -223.356318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.356318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.356318 (E_RNA)
where:
Base-Base interactions energy: -135.893
where: short stacking energy: -68.933
Base-Backbone interact. energy: 1.823
local terms energy: -89.286595
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -97.729632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.729632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.729632 (E_RNA)
where:
Base-Base interactions energy: -27.733
where: short stacking energy: -26.886
Base-Backbone interact. energy: -0.724
local terms energy: -69.272856
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: 3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -370.813119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.813119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.813119 (E_RNA)
where:
Base-Base interactions energy: -249.537
where: short stacking energy: -117.443
Base-Backbone interact. energy: -0.090
local terms energy: -121.185804
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -37.581
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: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -329.780281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.780281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.780281 (E_RNA)
where:
Base-Base interactions energy: -205.377
where: short stacking energy: -107.012
Base-Backbone interact. energy: -0.057
local terms energy: -124.345571
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -33.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -299.471253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.471253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.471253 (E_RNA)
where:
Base-Base interactions energy: -198.464
where: short stacking energy: -101.916
Base-Backbone interact. energy: -0.612
local terms energy: -100.395566
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -276.532093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.532093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.532093 (E_RNA)
where:
Base-Base interactions energy: -169.042
where: short stacking energy: -81.691
Base-Backbone interact. energy: -0.580
local terms energy: -106.909489
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -258.032533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.032533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.032533 (E_RNA)
where:
Base-Base interactions energy: -160.701
where: short stacking energy: -73.324
Base-Backbone interact. energy: -0.454
local terms energy: -96.877348
where:
bonds (distance) C4'-P energy: -25.172
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -25.157
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: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -244.123038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.123038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.123038 (E_RNA)
where:
Base-Base interactions energy: -146.295
where: short stacking energy: -83.175
Base-Backbone interact. energy: -0.287
local terms energy: -97.541178
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -238.969819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.969819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.969819 (E_RNA)
where:
Base-Base interactions energy: -145.558
where: short stacking energy: -74.493
Base-Backbone interact. energy: -0.090
local terms energy: -93.321962
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -227.677893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.677893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.677893 (E_RNA)
where:
Base-Base interactions energy: -144.867
where: short stacking energy: -68.210
Base-Backbone interact. energy: 1.872
local terms energy: -84.683252
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -17.974
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: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -111.547205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.547205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.547205 (E_RNA)
where:
Base-Base interactions energy: -53.465
where: short stacking energy: -50.299
Base-Backbone interact. energy: -0.358
local terms energy: -57.724102
where:
bonds (distance) C4'-P energy: -5.784
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -3.434
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: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -99.281640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.281640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.281640 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -33.440
Base-Backbone interact. energy: -0.211
local terms energy: -65.630341
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -14.662
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: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -373.020292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.020292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.020292 (E_RNA)
where:
Base-Base interactions energy: -246.198
where: short stacking energy: -117.177
Base-Backbone interact. energy: -0.257
local terms energy: -126.565443
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -33.993
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: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -319.850340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.850340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.850340 (E_RNA)
where:
Base-Base interactions energy: -202.058
where: short stacking energy: -94.227
Base-Backbone interact. energy: -0.083
local terms energy: -117.709059
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -26.773
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -30.835
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: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -275.259459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.259459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.259459 (E_RNA)
where:
Base-Base interactions energy: -173.636
where: short stacking energy: -80.697
Base-Backbone interact. energy: -0.203
local terms energy: -101.421032
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -283.552531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.552531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.552531 (E_RNA)
where:
Base-Base interactions energy: -190.543
where: short stacking energy: -90.477
Base-Backbone interact. energy: -0.134
local terms energy: -92.876261
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -256.447458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.447458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.447458 (E_RNA)
where:
Base-Base interactions energy: -158.600
where: short stacking energy: -79.992
Base-Backbone interact. energy: -0.890
local terms energy: -96.957557
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -249.829850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.829850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.829850 (E_RNA)
where:
Base-Base interactions energy: -149.802
where: short stacking energy: -80.379
Base-Backbone interact. energy: 3.139
local terms energy: -103.165915
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -233.720246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.720246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.720246 (E_RNA)
where:
Base-Base interactions energy: -140.759
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.015
local terms energy: -92.946423
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -15.705
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: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -224.225964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.225964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.225964 (E_RNA)
where:
Base-Base interactions energy: -134.866
where: short stacking energy: -66.805
Base-Backbone interact. energy: -0.018
local terms energy: -89.341674
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -109.003193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.003193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.003193 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -29.655
Base-Backbone interact. energy: 0.341
local terms energy: -70.353536
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: 8.341
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: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -113.530846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.530846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.530846 (E_RNA)
where:
Base-Base interactions energy: -40.529
where: short stacking energy: -37.247
Base-Backbone interact. energy: -0.297
local terms energy: -72.705081
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -6.721
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: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -382.144310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.144310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.144310 (E_RNA)
where:
Base-Base interactions energy: -252.977
where: short stacking energy: -113.483
Base-Backbone interact. energy: 0.269
local terms energy: -129.436643
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -36.250
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: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -313.884258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.884258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.884258 (E_RNA)
where:
Base-Base interactions energy: -198.476
where: short stacking energy: -98.602
Base-Backbone interact. energy: -0.010
local terms energy: -115.399175
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -30.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -265.973968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.973968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.973968 (E_RNA)
where:
Base-Base interactions energy: -164.560
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.294
local terms energy: -101.120420
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -25.734
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -286.460566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.460566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.460566 (E_RNA)
where:
Base-Base interactions energy: -187.994
where: short stacking energy: -89.887
Base-Backbone interact. energy: 0.282
local terms energy: -98.748488
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -250.056024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.056024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.056024 (E_RNA)
where:
Base-Base interactions energy: -152.565
where: short stacking energy: -80.186
Base-Backbone interact. energy: -0.209
local terms energy: -97.282028
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -15.230
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: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -253.620680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.620680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.620680 (E_RNA)
where:
Base-Base interactions energy: -168.879
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.109
local terms energy: -84.631744
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -12.660
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: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -218.925091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.925091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.925091 (E_RNA)
where:
Base-Base interactions energy: -123.685
where: short stacking energy: -49.522
Base-Backbone interact. energy: -0.437
local terms energy: -94.803347
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -16.803
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -218.658645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.658645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.658645 (E_RNA)
where:
Base-Base interactions energy: -126.238
where: short stacking energy: -63.155
Base-Backbone interact. energy: -0.055
local terms energy: -92.366095
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -17.568
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: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -129.198151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.198151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.198151 (E_RNA)
where:
Base-Base interactions energy: -42.935
where: short stacking energy: -42.935
Base-Backbone interact. energy: -0.299
local terms energy: -85.964335
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -107.129207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.129207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.129207 (E_RNA)
where:
Base-Base interactions energy: -37.143
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.361
local terms energy: -69.625264
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -11.820
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: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -371.954288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.954288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.954288 (E_RNA)
where:
Base-Base interactions energy: -251.866
where: short stacking energy: -118.517
Base-Backbone interact. energy: -0.657
local terms energy: -119.430572
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -33.627
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: 112
Temperature: 0.950000
Total energy: -300.623038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.623038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.623038 (E_RNA)
where:
Base-Base interactions energy: -189.977
where: short stacking energy: -90.847
Base-Backbone interact. energy: -0.169
local terms energy: -110.477002
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -23.356
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: 112
Temperature: 1.000000
Total energy: -318.544773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.544773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.544773 (E_RNA)
where:
Base-Base interactions energy: -206.229
where: short stacking energy: -108.524
Base-Backbone interact. energy: -0.323
local terms energy: -111.992772
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -29.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -265.756512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.756512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.756512 (E_RNA)
where:
Base-Base interactions energy: -155.789
where: short stacking energy: -79.180
Base-Backbone interact. energy: -0.483
local terms energy: -109.484124
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -256.704773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.704773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.704773 (E_RNA)
where:
Base-Base interactions energy: -156.910
where: short stacking energy: -77.549
Base-Backbone interact. energy: -0.452
local terms energy: -99.343169
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -245.640621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.640621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.640621 (E_RNA)
where:
Base-Base interactions energy: -148.054
where: short stacking energy: -74.629
Base-Backbone interact. energy: -0.097
local terms energy: -97.488804
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -18.421
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -233.347669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.347669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.347669 (E_RNA)
where:
Base-Base interactions energy: -153.676
where: short stacking energy: -58.711
Base-Backbone interact. energy: -0.122
local terms energy: -79.549828
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -170.049020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.049020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.049020 (E_RNA)
where:
Base-Base interactions energy: -95.709
where: short stacking energy: -52.080
Base-Backbone interact. energy: -1.374
local terms energy: -72.965491
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -118.558711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.558711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.558711 (E_RNA)
where:
Base-Base interactions energy: -50.041
where: short stacking energy: -42.741
Base-Backbone interact. energy: 1.010
local terms energy: -69.528189
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -102.191190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.191190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.191190 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -18.319
Base-Backbone interact. energy: -0.933
local terms energy: -63.736208
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -0.744
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: 113
Temperature: 0.900000
Total energy: -366.522998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.522998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.522998 (E_RNA)
where:
Base-Base interactions energy: -249.601
where: short stacking energy: -118.219
Base-Backbone interact. energy: -0.021
local terms energy: -116.900776
where:
bonds (distance) C4'-P energy: -22.544
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -33.235
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: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -304.708491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.708491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.708491 (E_RNA)
where:
Base-Base interactions energy: -201.558
where: short stacking energy: -100.272
Base-Backbone interact. energy: -0.349
local terms energy: -102.801822
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -25.693
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: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -306.985249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.985249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.985249 (E_RNA)
where:
Base-Base interactions energy: -195.408
where: short stacking energy: -90.999
Base-Backbone interact. energy: 0.120
local terms energy: -111.697702
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -27.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -253.957846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.957846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.957846 (E_RNA)
where:
Base-Base interactions energy: -146.924
where: short stacking energy: -81.329
Base-Backbone interact. energy: -0.064
local terms energy: -106.969460
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -15.473
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -284.717508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.717508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.717508 (E_RNA)
where:
Base-Base interactions energy: -181.844
where: short stacking energy: -82.145
Base-Backbone interact. energy: -0.145
local terms energy: -102.728777
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -12.985
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: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -250.250118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.250118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.250118 (E_RNA)
where:
Base-Base interactions energy: -150.899
where: short stacking energy: -81.019
Base-Backbone interact. energy: -0.009
local terms energy: -99.341690
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -13.104
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: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -221.512296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.512296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.512296 (E_RNA)
where:
Base-Base interactions energy: -141.019
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.341
local terms energy: -80.152676
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -11.425
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: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -198.054671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.054671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.054671 (E_RNA)
where:
Base-Base interactions energy: -116.646
where: short stacking energy: -49.820
Base-Backbone interact. energy: -0.201
local terms energy: -81.207460
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -14.710
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: 113
Temperature: 1.300000
Total energy: -112.439423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.439423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.439423 (E_RNA)
where:
Base-Base interactions energy: -46.316
where: short stacking energy: -40.224
Base-Backbone interact. energy: -0.570
local terms energy: -65.553723
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: 3.129
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: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -109.439637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.439637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.439637 (E_RNA)
where:
Base-Base interactions energy: -37.792
where: short stacking energy: -36.915
Base-Backbone interact. energy: -0.239
local terms energy: -71.408646
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: 0.672
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: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -359.349355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.349355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.349355 (E_RNA)
where:
Base-Base interactions energy: -241.959
where: short stacking energy: -97.196
Base-Backbone interact. energy: -0.810
local terms energy: -116.580444
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -27.416
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: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -307.352211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.352211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.352211 (E_RNA)
where:
Base-Base interactions energy: -195.245
where: short stacking energy: -94.029
Base-Backbone interact. energy: -0.729
local terms energy: -111.378023
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -308.857542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.857542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.857542 (E_RNA)
where:
Base-Base interactions energy: -199.125
where: short stacking energy: -81.134
Base-Backbone interact. energy: -0.302
local terms energy: -109.430267
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -260.602668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.602668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.602668 (E_RNA)
where:
Base-Base interactions energy: -160.122
where: short stacking energy: -77.972
Base-Backbone interact. energy: -0.248
local terms energy: -100.232210
where:
bonds (distance) C4'-P energy: -26.683
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -17.884
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: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -270.125495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.125495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.125495 (E_RNA)
where:
Base-Base interactions energy: -166.366
where: short stacking energy: -81.839
Base-Backbone interact. energy: -0.304
local terms energy: -103.455522
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -16.671
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: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -238.342756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.342756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.342756 (E_RNA)
where:
Base-Base interactions energy: -156.358
where: short stacking energy: -72.540
Base-Backbone interact. energy: 0.322
local terms energy: -82.306954
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -209.861236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.861236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.861236 (E_RNA)
where:
Base-Base interactions energy: -126.931
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.055
local terms energy: -82.874640
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -204.815701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.815701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.815701 (E_RNA)
where:
Base-Base interactions energy: -112.566
where: short stacking energy: -57.055
Base-Backbone interact. energy: 1.383
local terms energy: -93.633428
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -123.552294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.552294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.552294 (E_RNA)
where:
Base-Base interactions energy: -52.717
where: short stacking energy: -40.913
Base-Backbone interact. energy: 0.626
local terms energy: -71.461563
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -109.434405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.434405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.434405 (E_RNA)
where:
Base-Base interactions energy: -50.334
where: short stacking energy: -48.841
Base-Backbone interact. energy: -0.076
local terms energy: -59.024626
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -7.078
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: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -364.343172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.343172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.343172 (E_RNA)
where:
Base-Base interactions energy: -238.215
where: short stacking energy: -108.855
Base-Backbone interact. energy: -0.827
local terms energy: -125.300494
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -32.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -324.503462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.503462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.503462 (E_RNA)
where:
Base-Base interactions energy: -203.981
where: short stacking energy: -85.289
Base-Backbone interact. energy: -0.350
local terms energy: -120.172786
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -29.891
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: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -311.213302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.213302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.213302 (E_RNA)
where:
Base-Base interactions energy: -198.828
where: short stacking energy: -88.823
Base-Backbone interact. energy: -0.360
local terms energy: -112.024923
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -272.027371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.027371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.027371 (E_RNA)
where:
Base-Base interactions energy: -166.240
where: short stacking energy: -86.917
Base-Backbone interact. energy: -0.122
local terms energy: -105.665463
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -24.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -273.138226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.138226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.138226 (E_RNA)
where:
Base-Base interactions energy: -178.294
where: short stacking energy: -88.404
Base-Backbone interact. energy: -0.123
local terms energy: -94.720382
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -22.410
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: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -237.617212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.617212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.617212 (E_RNA)
where:
Base-Base interactions energy: -146.352
where: short stacking energy: -75.086
Base-Backbone interact. energy: -0.083
local terms energy: -91.182131
where:
bonds (distance) C4'-P energy: -21.152
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -215.203161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.203161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.203161 (E_RNA)
where:
Base-Base interactions energy: -135.601
where: short stacking energy: -51.513
Base-Backbone interact. energy: -0.479
local terms energy: -79.123519
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -17.565
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: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -215.327039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.327039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.327039 (E_RNA)
where:
Base-Base interactions energy: -116.559
where: short stacking energy: -57.894
Base-Backbone interact. energy: 0.045
local terms energy: -98.813251
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -117.464442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.464442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.464442 (E_RNA)
where:
Base-Base interactions energy: -54.882
where: short stacking energy: -34.328
Base-Backbone interact. energy: -0.293
local terms energy: -62.288925
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -100.241725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.241725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.241725 (E_RNA)
where:
Base-Base interactions energy: -37.988
where: short stacking energy: -32.792
Base-Backbone interact. energy: 1.916
local terms energy: -64.169525
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -366.163820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.163820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.163820 (E_RNA)
where:
Base-Base interactions energy: -248.577
where: short stacking energy: -116.884
Base-Backbone interact. energy: -0.111
local terms energy: -117.475543
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -36.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -325.355947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.355947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.355947 (E_RNA)
where:
Base-Base interactions energy: -210.669
where: short stacking energy: -88.944
Base-Backbone interact. energy: -0.248
local terms energy: -114.438482
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -29.672
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -26.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -315.089512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.089512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.089512 (E_RNA)
where:
Base-Base interactions energy: -193.836
where: short stacking energy: -95.056
Base-Backbone interact. energy: -0.085
local terms energy: -121.168331
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -27.020
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -276.954438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.954438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.954438 (E_RNA)
where:
Base-Base interactions energy: -184.084
where: short stacking energy: -92.941
Base-Backbone interact. energy: -0.023
local terms energy: -92.847935
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -26.195
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: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -246.752444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.752444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.752444 (E_RNA)
where:
Base-Base interactions energy: -154.479
where: short stacking energy: -80.712
Base-Backbone interact. energy: 1.388
local terms energy: -93.661285
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -264.714912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.714912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.714912 (E_RNA)
where:
Base-Base interactions energy: -165.383
where: short stacking energy: -86.786
Base-Backbone interact. energy: -0.006
local terms energy: -99.326515
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -215.448419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.448419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.448419 (E_RNA)
where:
Base-Base interactions energy: -125.588
where: short stacking energy: -70.507
Base-Backbone interact. energy: -0.083
local terms energy: -89.777567
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -18.932
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: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -221.256718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.256718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.256718 (E_RNA)
where:
Base-Base interactions energy: -136.369
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.107
local terms energy: -84.780462
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -107.583104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.583104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.583104 (E_RNA)
where:
Base-Base interactions energy: -30.890
where: short stacking energy: -29.553
Base-Backbone interact. energy: -0.172
local terms energy: -76.520774
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -109.421334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.421334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.421334 (E_RNA)
where:
Base-Base interactions energy: -49.911
where: short stacking energy: -48.138
Base-Backbone interact. energy: -0.056
local terms energy: -59.454958
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -13.791
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: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -366.938964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.938964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.938964 (E_RNA)
where:
Base-Base interactions energy: -241.132
where: short stacking energy: -110.770
Base-Backbone interact. energy: 1.462
local terms energy: -127.269386
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -26.863
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -34.291
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: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -335.686994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.686994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.686994 (E_RNA)
where:
Base-Base interactions energy: -214.967
where: short stacking energy: -93.575
Base-Backbone interact. energy: -0.235
local terms energy: -120.485736
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -26.774
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: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -312.568578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.568578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.568578 (E_RNA)
where:
Base-Base interactions energy: -206.439
where: short stacking energy: -95.016
Base-Backbone interact. energy: -0.449
local terms energy: -105.680263
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -28.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -284.518087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.518087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.518087 (E_RNA)
where:
Base-Base interactions energy: -177.728
where: short stacking energy: -93.782
Base-Backbone interact. energy: -0.015
local terms energy: -106.775163
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -26.319
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -25.695
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: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -231.374326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.374326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.374326 (E_RNA)
where:
Base-Base interactions energy: -144.727
where: short stacking energy: -74.860
Base-Backbone interact. energy: -0.075
local terms energy: -86.572339
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -241.668357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.668357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.668357 (E_RNA)
where:
Base-Base interactions energy: -150.439
where: short stacking energy: -76.016
Base-Backbone interact. energy: -0.250
local terms energy: -90.979853
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -25.394
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -14.071
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: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -204.862380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.862380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.862380 (E_RNA)
where:
Base-Base interactions energy: -132.750
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.091
local terms energy: -72.021770
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -6.464
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: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -225.903818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.903818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.903818 (E_RNA)
where:
Base-Base interactions energy: -137.857
where: short stacking energy: -68.284
Base-Backbone interact. energy: 0.373
local terms energy: -88.420312
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -19.482
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: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -109.595139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.595139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.595139 (E_RNA)
where:
Base-Base interactions energy: -39.648
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.492
local terms energy: -69.455326
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -0.701
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: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -110.649412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.649412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.649412 (E_RNA)
where:
Base-Base interactions energy: -42.401
where: short stacking energy: -41.631
Base-Backbone interact. energy: 1.931
local terms energy: -70.179927
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -2.131
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: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -361.739942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.739942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.739942 (E_RNA)
where:
Base-Base interactions energy: -251.167
where: short stacking energy: -113.775
Base-Backbone interact. energy: -0.016
local terms energy: -110.557432
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -29.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -320.501587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.501587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.501587 (E_RNA)
where:
Base-Base interactions energy: -210.007
where: short stacking energy: -98.399
Base-Backbone interact. energy: -0.902
local terms energy: -109.592658
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -320.891259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.891259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.891259 (E_RNA)
where:
Base-Base interactions energy: -208.889
where: short stacking energy: -100.891
Base-Backbone interact. energy: -0.066
local terms energy: -111.936284
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -28.328
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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -268.107507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.107507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.107507 (E_RNA)
where:
Base-Base interactions energy: -168.705
where: short stacking energy: -79.861
Base-Backbone interact. energy: -0.195
local terms energy: -99.206999
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -17.409
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: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -251.119123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.119123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.119123 (E_RNA)
where:
Base-Base interactions energy: -157.270
where: short stacking energy: -74.913
Base-Backbone interact. energy: -0.219
local terms energy: -93.630420
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -14.262
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: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -248.743209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.743209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.743209 (E_RNA)
where:
Base-Base interactions energy: -142.640
where: short stacking energy: -73.254
Base-Backbone interact. energy: -1.224
local terms energy: -104.879027
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -236.581721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.581721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.581721 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -66.867
Base-Backbone interact. energy: -0.006
local terms energy: -89.756791
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -196.307196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.307196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.307196 (E_RNA)
where:
Base-Base interactions energy: -124.323
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.276
local terms energy: -71.708081
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -111.944783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.944783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.944783 (E_RNA)
where:
Base-Base interactions energy: -48.634
where: short stacking energy: -40.365
Base-Backbone interact. energy: 0.147
local terms energy: -63.457297
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -8.383
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: 118
Temperature: 1.350000
Total energy: -105.965122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.965122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.965122 (E_RNA)
where:
Base-Base interactions energy: -22.915
where: short stacking energy: -22.915
Base-Backbone interact. energy: -0.078
local terms energy: -82.972612
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -23.699
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -360.824939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.824939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.824939 (E_RNA)
where:
Base-Base interactions energy: -242.413
where: short stacking energy: -107.149
Base-Backbone interact. energy: -0.233
local terms energy: -118.178456
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -321.278422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.278422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.278422 (E_RNA)
where:
Base-Base interactions energy: -213.784
where: short stacking energy: -96.271
Base-Backbone interact. energy: -0.846
local terms energy: -106.648028
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -24.821
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: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -323.615346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.615346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.615346 (E_RNA)
where:
Base-Base interactions energy: -206.845
where: short stacking energy: -95.004
Base-Backbone interact. energy: -0.124
local terms energy: -116.646413
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -29.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -262.710263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.710263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.710263 (E_RNA)
where:
Base-Base interactions energy: -155.859
where: short stacking energy: -75.071
Base-Backbone interact. energy: -0.217
local terms energy: -106.634591
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -21.023
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: 119
Temperature: 1.100000
Total energy: -260.336818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.336818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.336818 (E_RNA)
where:
Base-Base interactions energy: -161.656
where: short stacking energy: -82.993
Base-Backbone interact. energy: 0.104
local terms energy: -98.785136
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -242.034695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.034695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.034695 (E_RNA)
where:
Base-Base interactions energy: -153.167
where: short stacking energy: -75.210
Base-Backbone interact. energy: 5.641
local terms energy: -94.507917
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -239.941150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.941150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.941150 (E_RNA)
where:
Base-Base interactions energy: -140.756
where: short stacking energy: -73.919
Base-Backbone interact. energy: 0.331
local terms energy: -99.516167
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -25.088
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -246.688488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.688488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.688488 (E_RNA)
where:
Base-Base interactions energy: -148.613
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.334
local terms energy: -97.741912
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -16.195
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: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -103.137031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.137031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.137031 (E_RNA)
where:
Base-Base interactions energy: -35.849
where: short stacking energy: -23.207
Base-Backbone interact. energy: -0.089
local terms energy: -67.199130
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -122.810703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.810703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.810703 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.420
local terms energy: -76.832235
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -3.428
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: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -364.796200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.796200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.796200 (E_RNA)
where:
Base-Base interactions energy: -248.036
where: short stacking energy: -112.262
Base-Backbone interact. energy: -0.423
local terms energy: -116.337216
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -25.454
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -32.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -326.758117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.758117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.758117 (E_RNA)
where:
Base-Base interactions energy: -214.092
where: short stacking energy: -105.422
Base-Backbone interact. energy: -0.121
local terms energy: -112.545095
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -33.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -302.787540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.787540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.787540 (E_RNA)
where:
Base-Base interactions energy: -204.893
where: short stacking energy: -102.410
Base-Backbone interact. energy: -0.123
local terms energy: -97.771970
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -273.640356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.640356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.640356 (E_RNA)
where:
Base-Base interactions energy: -163.481
where: short stacking energy: -92.125
Base-Backbone interact. energy: -0.046
local terms energy: -110.113199
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -257.549242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.549242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.549242 (E_RNA)
where:
Base-Base interactions energy: -170.595
where: short stacking energy: -90.257
Base-Backbone interact. energy: -0.095
local terms energy: -86.858867
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -246.149221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.149221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.149221 (E_RNA)
where:
Base-Base interactions energy: -147.309
where: short stacking energy: -77.070
Base-Backbone interact. energy: -0.231
local terms energy: -98.609590
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -18.683
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: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -221.196762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.196762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.196762 (E_RNA)
where:
Base-Base interactions energy: -132.910
where: short stacking energy: -65.094
Base-Backbone interact. energy: -0.770
local terms energy: -87.516318
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -228.079282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.079282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.079282 (E_RNA)
where:
Base-Base interactions energy: -141.851
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.033
local terms energy: -86.195037
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -17.738
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: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -121.490784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.490784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.490784 (E_RNA)
where:
Base-Base interactions energy: -39.430
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.066
local terms energy: -81.994577
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -105.255967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.255967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.255967 (E_RNA)
where:
Base-Base interactions energy: -43.472
where: short stacking energy: -37.832
Base-Backbone interact. energy: -0.197
local terms energy: -61.586509
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -362.004478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.004478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.004478 (E_RNA)
where:
Base-Base interactions energy: -236.159
where: short stacking energy: -108.169
Base-Backbone interact. energy: -0.687
local terms energy: -125.158458
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -32.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -314.297612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.297612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.297612 (E_RNA)
where:
Base-Base interactions energy: -196.785
where: short stacking energy: -92.096
Base-Backbone interact. energy: -0.110
local terms energy: -117.402698
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -310.238051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.238051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.238051 (E_RNA)
where:
Base-Base interactions energy: -195.480
where: short stacking energy: -97.481
Base-Backbone interact. energy: -0.088
local terms energy: -114.670654
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -18.373
tors. eta vs tors. theta energy: -27.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -241.273009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.273009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.273009 (E_RNA)
where:
Base-Base interactions energy: -133.096
where: short stacking energy: -65.979
Base-Backbone interact. energy: -0.648
local terms energy: -107.528194
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -21.586
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: 121
Temperature: 1.100000
Total energy: -257.863703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.863703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.863703 (E_RNA)
where:
Base-Base interactions energy: -162.714
where: short stacking energy: -78.294
Base-Backbone interact. energy: -0.095
local terms energy: -95.054859
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -23.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -244.861496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.861496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.861496 (E_RNA)
where:
Base-Base interactions energy: -157.861
where: short stacking energy: -73.966
Base-Backbone interact. energy: -0.048
local terms energy: -86.952786
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -248.310908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.310908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.310908 (E_RNA)
where:
Base-Base interactions energy: -159.462
where: short stacking energy: -73.120
Base-Backbone interact. energy: -0.380
local terms energy: -88.469258
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -227.240458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.240458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.240458 (E_RNA)
where:
Base-Base interactions energy: -128.257
where: short stacking energy: -59.583
Base-Backbone interact. energy: 0.494
local terms energy: -99.476756
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -132.862311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.862311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.862311 (E_RNA)
where:
Base-Base interactions energy: -42.270
where: short stacking energy: -39.409
Base-Backbone interact. energy: -0.243
local terms energy: -90.349616
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -109.351197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.351197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.351197 (E_RNA)
where:
Base-Base interactions energy: -34.123
where: short stacking energy: -27.195
Base-Backbone interact. energy: -0.471
local terms energy: -74.757740
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -374.484335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.484335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.484335 (E_RNA)
where:
Base-Base interactions energy: -248.205
where: short stacking energy: -108.397
Base-Backbone interact. energy: -0.099
local terms energy: -126.179969
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -35.075
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: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -315.595822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.595822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.595822 (E_RNA)
where:
Base-Base interactions energy: -196.334
where: short stacking energy: -100.569
Base-Backbone interact. energy: -0.079
local terms energy: -119.182272
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -32.799
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: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -328.761484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.761484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.761484 (E_RNA)
where:
Base-Base interactions energy: -209.721
where: short stacking energy: -96.854
Base-Backbone interact. energy: -2.516
local terms energy: -116.524320
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -25.361
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -27.653
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: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -249.863759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.863759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.863759 (E_RNA)
where:
Base-Base interactions energy: -166.019
where: short stacking energy: -79.853
Base-Backbone interact. energy: -0.011
local terms energy: -83.833553
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -257.208984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.208984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.208984 (E_RNA)
where:
Base-Base interactions energy: -149.673
where: short stacking energy: -81.034
Base-Backbone interact. energy: 0.217
local terms energy: -107.753260
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -25.040
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -232.438392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.438392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.438392 (E_RNA)
where:
Base-Base interactions energy: -147.330
where: short stacking energy: -71.228
Base-Backbone interact. energy: -0.452
local terms energy: -84.656751
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -248.992042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.992042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.992042 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -71.605
Base-Backbone interact. energy: -0.994
local terms energy: -105.147510
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -21.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -230.229544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.229544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.229544 (E_RNA)
where:
Base-Base interactions energy: -128.276
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.077
local terms energy: -101.876535
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -106.830302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.830302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.830302 (E_RNA)
where:
Base-Base interactions energy: -38.788
where: short stacking energy: -27.535
Base-Backbone interact. energy: 1.222
local terms energy: -69.264339
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: 0.450
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: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -103.666437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.666437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.666437 (E_RNA)
where:
Base-Base interactions energy: -30.841
where: short stacking energy: -30.841
Base-Backbone interact. energy: 0.327
local terms energy: -73.152098
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -1.063
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: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -365.936751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.936751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.936751 (E_RNA)
where:
Base-Base interactions energy: -242.062
where: short stacking energy: -112.030
Base-Backbone interact. energy: -0.053
local terms energy: -123.821931
where:
bonds (distance) C4'-P energy: -24.987
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -32.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -317.437292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.437292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.437292 (E_RNA)
where:
Base-Base interactions energy: -202.926
where: short stacking energy: -90.900
Base-Backbone interact. energy: -0.214
local terms energy: -114.296771
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -27.068
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -25.848
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: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -307.179974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.179974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.179974 (E_RNA)
where:
Base-Base interactions energy: -184.762
where: short stacking energy: -92.436
Base-Backbone interact. energy: -0.110
local terms energy: -122.308248
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -28.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -280.053644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.053644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.053644 (E_RNA)
where:
Base-Base interactions energy: -172.690
where: short stacking energy: -93.531
Base-Backbone interact. energy: 0.292
local terms energy: -107.654781
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -12.943
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: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -246.602914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.602914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.602914 (E_RNA)
where:
Base-Base interactions energy: -158.467
where: short stacking energy: -86.014
Base-Backbone interact. energy: 0.005
local terms energy: -88.140294
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -16.437
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: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -234.540249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.540249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.540249 (E_RNA)
where:
Base-Base interactions energy: -129.836
where: short stacking energy: -68.959
Base-Backbone interact. energy: -0.320
local terms energy: -104.384241
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -27.881
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -240.865910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.865910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.865910 (E_RNA)
where:
Base-Base interactions energy: -150.539
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.051
local terms energy: -90.275845
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -15.864
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: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -127.573940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.573940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.573940 (E_RNA)
where:
Base-Base interactions energy: -44.724
where: short stacking energy: -42.054
Base-Backbone interact. energy: -0.168
local terms energy: -82.682099
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -193.654404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.654404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.654404 (E_RNA)
where:
Base-Base interactions energy: -110.470
where: short stacking energy: -46.368
Base-Backbone interact. energy: 0.140
local terms energy: -83.324199
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -10.079
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: 10, replica: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -113.108938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.108938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.108938 (E_RNA)
where:
Base-Base interactions energy: -39.684
where: short stacking energy: -36.760
Base-Backbone interact. energy: -0.391
local terms energy: -73.034088
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -368.955954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.955954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.955954 (E_RNA)
where:
Base-Base interactions energy: -245.187
where: short stacking energy: -117.270
Base-Backbone interact. energy: -0.092
local terms energy: -123.676825
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -33.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -318.307630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.307630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.307630 (E_RNA)
where:
Base-Base interactions energy: -208.339
where: short stacking energy: -101.933
Base-Backbone interact. energy: 0.369
local terms energy: -110.337689
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -26.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -305.709445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.709445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.709445 (E_RNA)
where:
Base-Base interactions energy: -187.549
where: short stacking energy: -94.009
Base-Backbone interact. energy: -0.338
local terms energy: -117.822060
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -25.631
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -25.932
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: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -268.598551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.598551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.598551 (E_RNA)
where:
Base-Base interactions energy: -164.664
where: short stacking energy: -90.567
Base-Backbone interact. energy: -0.201
local terms energy: -103.734042
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -16.059
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: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -247.778330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.778330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.778330 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -68.527
Base-Backbone interact. energy: -0.452
local terms energy: -104.068072
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -18.475
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: 124
Temperature: 1.150000
Total energy: -234.146082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.146082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.146082 (E_RNA)
where:
Base-Base interactions energy: -136.182
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.208
local terms energy: -97.756184
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -243.389154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.389154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.389154 (E_RNA)
where:
Base-Base interactions energy: -160.253
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.758
local terms energy: -82.378374
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -125.305024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.305024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.305024 (E_RNA)
where:
Base-Base interactions energy: -47.431
where: short stacking energy: -47.431
Base-Backbone interact. energy: -0.103
local terms energy: -77.770371
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -5.930
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: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -219.196299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.196299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.196299 (E_RNA)
where:
Base-Base interactions energy: -140.402
where: short stacking energy: -70.618
Base-Backbone interact. energy: -0.408
local terms energy: -78.385940
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -104.821878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.821878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.821878 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -22.446
Base-Backbone interact. energy: 0.898
local terms energy: -72.556011
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -9.392
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: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -368.153079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.153079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.153079 (E_RNA)
where:
Base-Base interactions energy: -243.467
where: short stacking energy: -109.066
Base-Backbone interact. energy: -0.076
local terms energy: -124.610408
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -34.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -326.295134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.295134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.295134 (E_RNA)
where:
Base-Base interactions energy: -206.028
where: short stacking energy: -101.554
Base-Backbone interact. energy: -0.305
local terms energy: -119.961440
where:
bonds (distance) C4'-P energy: -26.923
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -27.025
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -28.365
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: 125
Temperature: 1.000000
Total energy: -307.822818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.822818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.822818 (E_RNA)
where:
Base-Base interactions energy: -194.234
where: short stacking energy: -93.830
Base-Backbone interact. energy: -0.039
local terms energy: -113.549414
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -26.966
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: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -258.453678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.453678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.453678 (E_RNA)
where:
Base-Base interactions energy: -158.356
where: short stacking energy: -87.427
Base-Backbone interact. energy: -0.093
local terms energy: -100.004795
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -22.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -247.776185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.776185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.776185 (E_RNA)
where:
Base-Base interactions energy: -150.412
where: short stacking energy: -77.973
Base-Backbone interact. energy: -0.220
local terms energy: -97.144788
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -253.187415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.187415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.187415 (E_RNA)
where:
Base-Base interactions energy: -148.846
where: short stacking energy: -72.419
Base-Backbone interact. energy: -0.272
local terms energy: -104.069256
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -233.371405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.371405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.371405 (E_RNA)
where:
Base-Base interactions energy: -142.845
where: short stacking energy: -64.918
Base-Backbone interact. energy: -0.168
local terms energy: -90.358053
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -221.020106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.020106 (E_RNA)
where:
Base-Base interactions energy: -140.125
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.053
local terms energy: -80.842420
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -9.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -107.529486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.529486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.529486 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.340
local terms energy: -74.899377
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -108.221469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.221469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.221469 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -32.733
Base-Backbone interact. energy: -0.309
local terms energy: -69.696236
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: 2.622
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: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -379.166702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.166702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.166702 (E_RNA)
where:
Base-Base interactions energy: -263.833
where: short stacking energy: -110.405
Base-Backbone interact. energy: 0.111
local terms energy: -115.444503
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -30.160
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: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -326.546935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.546935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.546935 (E_RNA)
where:
Base-Base interactions energy: -204.762
where: short stacking energy: -98.729
Base-Backbone interact. energy: -0.058
local terms energy: -121.727487
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -28.644
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -30.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -308.675960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.675960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.675960 (E_RNA)
where:
Base-Base interactions energy: -190.447
where: short stacking energy: -93.108
Base-Backbone interact. energy: -0.423
local terms energy: -117.805818
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -27.657
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -26.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -265.324374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.324374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.324374 (E_RNA)
where:
Base-Base interactions energy: -160.682
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.188
local terms energy: -104.453724
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -241.849379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.849379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.849379 (E_RNA)
where:
Base-Base interactions energy: -146.356
where: short stacking energy: -68.852
Base-Backbone interact. energy: -0.213
local terms energy: -95.279814
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -250.367592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.367592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.367592 (E_RNA)
where:
Base-Base interactions energy: -155.229
where: short stacking energy: -70.514
Base-Backbone interact. energy: 0.450
local terms energy: -95.588672
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -231.420244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.420244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.420244 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -70.643
Base-Backbone interact. energy: -0.112
local terms energy: -83.308139
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -15.585
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: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -223.325894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.325894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.325894 (E_RNA)
where:
Base-Base interactions energy: -149.433
where: short stacking energy: -62.922
Base-Backbone interact. energy: -0.122
local terms energy: -73.771357
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -121.488508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.488508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.488508 (E_RNA)
where:
Base-Base interactions energy: -38.654
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.100
local terms energy: -82.734354
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -119.751970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.751970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.751970 (E_RNA)
where:
Base-Base interactions energy: -50.611
where: short stacking energy: -50.611
Base-Backbone interact. energy: -0.026
local terms energy: -69.114658
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -9.915
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: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -373.229248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.229248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.229248 (E_RNA)
where:
Base-Base interactions energy: -248.153
where: short stacking energy: -109.411
Base-Backbone interact. energy: -0.108
local terms energy: -124.968417
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -34.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -318.255164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.255164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.255164 (E_RNA)
where:
Base-Base interactions energy: -199.537
where: short stacking energy: -104.794
Base-Backbone interact. energy: -0.005
local terms energy: -118.713940
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -31.798
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: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -298.748015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.748015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.748015 (E_RNA)
where:
Base-Base interactions energy: -185.141
where: short stacking energy: -81.726
Base-Backbone interact. energy: -0.294
local terms energy: -113.312335
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -25.959
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -242.208089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.208089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.208089 (E_RNA)
where:
Base-Base interactions energy: -145.087
where: short stacking energy: -71.016
Base-Backbone interact. energy: -0.064
local terms energy: -97.056803
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -243.911247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.911247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.911247 (E_RNA)
where:
Base-Base interactions energy: -150.017
where: short stacking energy: -68.961
Base-Backbone interact. energy: 0.978
local terms energy: -94.872380
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -234.832985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.832985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.832985 (E_RNA)
where:
Base-Base interactions energy: -146.403
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.129
local terms energy: -88.300902
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -244.199321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.199321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.199321 (E_RNA)
where:
Base-Base interactions energy: -151.955
where: short stacking energy: -76.482
Base-Backbone interact. energy: -0.137
local terms energy: -92.107283
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -18.794
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: 127
Temperature: 1.250000
Total energy: -227.685756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.685756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.685756 (E_RNA)
where:
Base-Base interactions energy: -139.698
where: short stacking energy: -73.468
Base-Backbone interact. energy: -0.335
local terms energy: -87.652977
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -15.965
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: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -124.359538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.359538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.359538 (E_RNA)
where:
Base-Base interactions energy: -44.737
where: short stacking energy: -44.809
Base-Backbone interact. energy: -0.202
local terms energy: -79.420693
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -113.945464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.945464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.945464 (E_RNA)
where:
Base-Base interactions energy: -48.721
where: short stacking energy: -47.943
Base-Backbone interact. energy: -0.262
local terms energy: -64.962546
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -372.620419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.620419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.620419 (E_RNA)
where:
Base-Base interactions energy: -247.482
where: short stacking energy: -112.455
Base-Backbone interact. energy: -0.122
local terms energy: -125.016425
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -34.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -316.121847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.121847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.121847 (E_RNA)
where:
Base-Base interactions energy: -204.658
where: short stacking energy: -109.531
Base-Backbone interact. energy: -0.019
local terms energy: -111.445211
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -30.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -313.720339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.720339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.720339 (E_RNA)
where:
Base-Base interactions energy: -199.906
where: short stacking energy: -104.230
Base-Backbone interact. energy: 0.072
local terms energy: -113.886129
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -31.122
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: 128
Temperature: 1.050000
Total energy: -259.942382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.942382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.942382 (E_RNA)
where:
Base-Base interactions energy: -155.061
where: short stacking energy: -82.299
Base-Backbone interact. energy: -0.051
local terms energy: -104.830084
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -253.706221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.706221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.706221 (E_RNA)
where:
Base-Base interactions energy: -152.998
where: short stacking energy: -76.000
Base-Backbone interact. energy: -0.095
local terms energy: -100.613134
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -246.807209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.807209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.807209 (E_RNA)
where:
Base-Base interactions energy: -145.477
where: short stacking energy: -75.695
Base-Backbone interact. energy: -0.047
local terms energy: -101.283369
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -13.078
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: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -228.002372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.002372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.002372 (E_RNA)
where:
Base-Base interactions energy: -136.662
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.557
local terms energy: -90.783621
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -8.454
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: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -226.175230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.175230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.175230 (E_RNA)
where:
Base-Base interactions energy: -136.489
where: short stacking energy: -54.625
Base-Backbone interact. energy: 1.799
local terms energy: -91.484992
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -16.867
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: 128
Temperature: 1.300000
Total energy: -116.321564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.321564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.321564 (E_RNA)
where:
Base-Base interactions energy: -38.768
where: short stacking energy: -38.768
Base-Backbone interact. energy: -0.244
local terms energy: -77.309204
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -109.670299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.670299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.670299 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -28.124
Base-Backbone interact. energy: -0.348
local terms energy: -60.235740
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -362.797301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.797301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.797301 (E_RNA)
where:
Base-Base interactions energy: -239.438
where: short stacking energy: -106.348
Base-Backbone interact. energy: -0.316
local terms energy: -123.043861
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -32.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -320.505306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.505306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.505306 (E_RNA)
where:
Base-Base interactions energy: -210.694
where: short stacking energy: -98.063
Base-Backbone interact. energy: -0.344
local terms energy: -109.467768
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -24.892
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -26.243
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: 129
Temperature: 1.000000
Total energy: -314.666532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.666532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.666532 (E_RNA)
where:
Base-Base interactions energy: -202.572
where: short stacking energy: -97.322
Base-Backbone interact. energy: -0.019
local terms energy: -112.075914
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -27.432
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: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -262.365355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.365355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.365355 (E_RNA)
where:
Base-Base interactions energy: -164.935
where: short stacking energy: -80.598
Base-Backbone interact. energy: 0.127
local terms energy: -97.557665
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -248.251036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.251036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.251036 (E_RNA)
where:
Base-Base interactions energy: -144.109
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.764
local terms energy: -103.378042
where:
bonds (distance) C4'-P energy: -25.869
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -24.854
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -250.232432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.232432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.232432 (E_RNA)
where:
Base-Base interactions energy: -147.083
where: short stacking energy: -74.217
Base-Backbone interact. energy: -0.157
local terms energy: -102.992764
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -238.981794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.981794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.981794 (E_RNA)
where:
Base-Base interactions energy: -151.405
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.246
local terms energy: -87.330168
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -13.804
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: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -210.912779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.912779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.912779 (E_RNA)
where:
Base-Base interactions energy: -120.516
where: short stacking energy: -61.812
Base-Backbone interact. energy: 0.276
local terms energy: -90.672035
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -119.507988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.507988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.507988 (E_RNA)
where:
Base-Base interactions energy: -41.518
where: short stacking energy: -32.632
Base-Backbone interact. energy: -0.734
local terms energy: -77.255344
where:
bonds (distance) C4'-P energy: -25.731
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -2.239
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: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -105.972852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.972852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.972852 (E_RNA)
where:
Base-Base interactions energy: -33.357
where: short stacking energy: -29.296
Base-Backbone interact. energy: 0.698
local terms energy: -73.313892
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: 1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -368.827992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.827992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.827992 (E_RNA)
where:
Base-Base interactions energy: -244.525
where: short stacking energy: -111.944
Base-Backbone interact. energy: -0.140
local terms energy: -124.162311
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -329.810540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.810540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.810540 (E_RNA)
where:
Base-Base interactions energy: -209.137
where: short stacking energy: -111.719
Base-Backbone interact. energy: -0.062
local terms energy: -120.611208
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -32.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -307.806952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.806952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.806952 (E_RNA)
where:
Base-Base interactions energy: -203.186
where: short stacking energy: -93.659
Base-Backbone interact. energy: 0.635
local terms energy: -105.255557
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -27.205
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: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -277.432677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.432677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.432677 (E_RNA)
where:
Base-Base interactions energy: -174.216
where: short stacking energy: -83.939
Base-Backbone interact. energy: -0.999
local terms energy: -102.218023
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -244.442143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.442143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.442143 (E_RNA)
where:
Base-Base interactions energy: -145.461
where: short stacking energy: -76.245
Base-Backbone interact. energy: -1.876
local terms energy: -97.105548
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -21.191
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: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -266.766503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.766503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.766503 (E_RNA)
where:
Base-Base interactions energy: -159.497
where: short stacking energy: -81.106
Base-Backbone interact. energy: -0.036
local terms energy: -107.233312
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -14.894
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: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -241.252351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.252351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.252351 (E_RNA)
where:
Base-Base interactions energy: -137.932
where: short stacking energy: -75.020
Base-Backbone interact. energy: -0.013
local terms energy: -103.307606
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -26.262
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: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -218.552585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.552585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.552585 (E_RNA)
where:
Base-Base interactions energy: -142.748
where: short stacking energy: -69.230
Base-Backbone interact. energy: -0.213
local terms energy: -75.591390
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -18.724
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: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -110.772578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.772578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.772578 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -32.233
Base-Backbone interact. energy: -1.355
local terms energy: -70.588780
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -1.792
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: 130
Temperature: 1.350000
Total energy: -109.362707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.362707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.362707 (E_RNA)
where:
Base-Base interactions energy: -39.953
where: short stacking energy: -35.706
Base-Backbone interact. energy: -0.213
local terms energy: -69.196172
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -364.720339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.720339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.720339 (E_RNA)
where:
Base-Base interactions energy: -245.561
where: short stacking energy: -106.058
Base-Backbone interact. energy: -0.877
local terms energy: -118.283188
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -327.459276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.459276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.459276 (E_RNA)
where:
Base-Base interactions energy: -201.382
where: short stacking energy: -112.851
Base-Backbone interact. energy: -0.024
local terms energy: -126.052733
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -36.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -325.297360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.297360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.297360 (E_RNA)
where:
Base-Base interactions energy: -212.581
where: short stacking energy: -99.229
Base-Backbone interact. energy: -0.548
local terms energy: -112.167856
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -16.287
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: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -273.188943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.188943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.188943 (E_RNA)
where:
Base-Base interactions energy: -166.509
where: short stacking energy: -87.742
Base-Backbone interact. energy: -0.184
local terms energy: -106.495969
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -25.769
flat angles P-C4'-P energy: -15.940
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: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -286.180181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.180181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.180181 (E_RNA)
where:
Base-Base interactions energy: -179.126
where: short stacking energy: -83.510
Base-Backbone interact. energy: -0.038
local terms energy: -107.015807
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -30.839
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: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -235.088475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.088475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.088475 (E_RNA)
where:
Base-Base interactions energy: -146.386
where: short stacking energy: -62.106
Base-Backbone interact. energy: -0.381
local terms energy: -88.322174
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -11.949
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: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -239.177015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.177015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.177015 (E_RNA)
where:
Base-Base interactions energy: -151.254
where: short stacking energy: -81.890
Base-Backbone interact. energy: -0.541
local terms energy: -87.382405
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -216.966371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.966371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.966371 (E_RNA)
where:
Base-Base interactions energy: -132.209
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.465
local terms energy: -84.292645
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -12.075
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: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -118.018674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.018674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.018674 (E_RNA)
where:
Base-Base interactions energy: -45.586
where: short stacking energy: -45.586
Base-Backbone interact. energy: -0.094
local terms energy: -72.338792
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -8.103
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: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -112.065757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.065757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.065757 (E_RNA)
where:
Base-Base interactions energy: -35.816
where: short stacking energy: -35.816
Base-Backbone interact. energy: 0.751
local terms energy: -77.000601
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -375.756263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.756263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.756263 (E_RNA)
where:
Base-Base interactions energy: -252.713
where: short stacking energy: -108.728
Base-Backbone interact. energy: -0.103
local terms energy: -122.939867
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -31.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -326.222289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.222289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.222289 (E_RNA)
where:
Base-Base interactions energy: -212.467
where: short stacking energy: -114.315
Base-Backbone interact. energy: -0.039
local terms energy: -113.715514
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -33.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -274.968699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.968699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.968699 (E_RNA)
where:
Base-Base interactions energy: -167.469
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.483
local terms energy: -107.016980
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -15.359
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: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -299.334906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.334906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.334906 (E_RNA)
where:
Base-Base interactions energy: -194.855
where: short stacking energy: -85.302
Base-Backbone interact. energy: 0.009
local terms energy: -104.488521
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -264.917089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.917089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.917089 (E_RNA)
where:
Base-Base interactions energy: -170.743
where: short stacking energy: -68.629
Base-Backbone interact. energy: 1.473
local terms energy: -95.646993
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -14.968
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: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -245.251885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.251885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.251885 (E_RNA)
where:
Base-Base interactions energy: -139.395
where: short stacking energy: -76.053
Base-Backbone interact. energy: -1.055
local terms energy: -104.802301
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -19.657
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: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -239.737592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.737592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.737592 (E_RNA)
where:
Base-Base interactions energy: -147.825
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.121
local terms energy: -91.791239
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -212.375291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.375291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.375291 (E_RNA)
where:
Base-Base interactions energy: -132.205
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.191
local terms energy: -79.979705
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -130.777354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.777354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.777354 (E_RNA)
where:
Base-Base interactions energy: -60.477
where: short stacking energy: -39.019
Base-Backbone interact. energy: 0.026
local terms energy: -70.327062
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -114.444431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.444431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.444431 (E_RNA)
where:
Base-Base interactions energy: -39.207
where: short stacking energy: -26.557
Base-Backbone interact. energy: 0.168
local terms energy: -75.404989
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -15.029
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: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -378.607898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.607898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.607898 (E_RNA)
where:
Base-Base interactions energy: -253.167
where: short stacking energy: -104.558
Base-Backbone interact. energy: -0.477
local terms energy: -124.964140
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -31.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -306.822164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.822164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.822164 (E_RNA)
where:
Base-Base interactions energy: -190.236
where: short stacking energy: -101.480
Base-Backbone interact. energy: -0.174
local terms energy: -116.411765
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -25.796
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -26.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -290.002094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.002094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.002094 (E_RNA)
where:
Base-Base interactions energy: -177.527
where: short stacking energy: -98.397
Base-Backbone interact. energy: -0.260
local terms energy: -112.215926
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -30.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -310.436715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.436715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.436715 (E_RNA)
where:
Base-Base interactions energy: -197.453
where: short stacking energy: -97.537
Base-Backbone interact. energy: -0.113
local terms energy: -112.871526
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -24.964
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -28.444
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: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -249.188879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.188879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.188879 (E_RNA)
where:
Base-Base interactions energy: -151.341
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.227
local terms energy: -97.620637
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -17.368
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: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -261.711594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.711594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.711594 (E_RNA)
where:
Base-Base interactions energy: -158.629
where: short stacking energy: -89.455
Base-Backbone interact. energy: -0.341
local terms energy: -102.741999
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -25.298
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -233.973872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.973872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.973872 (E_RNA)
where:
Base-Base interactions energy: -143.725
where: short stacking energy: -72.579
Base-Backbone interact. energy: -0.931
local terms energy: -89.317988
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -122.811275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.811275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.811275 (E_RNA)
where:
Base-Base interactions energy: -47.860
where: short stacking energy: -39.980
Base-Backbone interact. energy: -0.079
local terms energy: -74.872463
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -216.441801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.441801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.441801 (E_RNA)
where:
Base-Base interactions energy: -127.066
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.927
local terms energy: -88.448622
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -113.664564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.664564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.664564 (E_RNA)
where:
Base-Base interactions energy: -41.452
where: short stacking energy: -18.007
Base-Backbone interact. energy: -0.758
local terms energy: -71.454704
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.191
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: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -369.812610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.812610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.812610 (E_RNA)
where:
Base-Base interactions energy: -240.798
where: short stacking energy: -118.007
Base-Backbone interact. energy: -0.009
local terms energy: -129.005533
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -38.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -309.002917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.002917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.002917 (E_RNA)
where:
Base-Base interactions energy: -198.059
where: short stacking energy: -90.741
Base-Backbone interact. energy: -0.806
local terms energy: -110.138023
where:
bonds (distance) C4'-P energy: -24.654
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -28.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -315.954534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.954534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.954534 (E_RNA)
where:
Base-Base interactions energy: -207.661
where: short stacking energy: -101.896
Base-Backbone interact. energy: -0.114
local terms energy: -108.179201
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -280.845434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.845434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.845434 (E_RNA)
where:
Base-Base interactions energy: -182.261
where: short stacking energy: -88.361
Base-Backbone interact. energy: -0.412
local terms energy: -98.171684
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -264.528547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.528547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.528547 (E_RNA)
where:
Base-Base interactions energy: -176.222
where: short stacking energy: -87.145
Base-Backbone interact. energy: -0.970
local terms energy: -87.336018
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -13.078
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: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -237.821621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.821621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.821621 (E_RNA)
where:
Base-Base interactions energy: -145.261
where: short stacking energy: -70.336
Base-Backbone interact. energy: -1.103
local terms energy: -91.457582
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -17.897
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: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -134.917796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.917796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.917796 (E_RNA)
where:
Base-Base interactions energy: -52.381
where: short stacking energy: -47.586
Base-Backbone interact. energy: 0.906
local terms energy: -83.442139
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -233.075912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.075912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.075912 (E_RNA)
where:
Base-Base interactions energy: -134.700
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.584
local terms energy: -97.791757
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -208.135256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.135256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.135256 (E_RNA)
where:
Base-Base interactions energy: -130.605
where: short stacking energy: -65.454
Base-Backbone interact. energy: 0.930
local terms energy: -78.460096
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -12.155
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: 134
Temperature: 1.350000
Total energy: -105.862106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.862106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.862106 (E_RNA)
where:
Base-Base interactions energy: -31.491
where: short stacking energy: -24.096
Base-Backbone interact. energy: -0.124
local terms energy: -74.246877
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -364.058265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.058265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.058265 (E_RNA)
where:
Base-Base interactions energy: -237.410
where: short stacking energy: -114.510
Base-Backbone interact. energy: -0.073
local terms energy: -126.575626
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -32.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -323.195223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.195223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.195223 (E_RNA)
where:
Base-Base interactions energy: -203.970
where: short stacking energy: -84.465
Base-Backbone interact. energy: -0.576
local terms energy: -118.649390
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -28.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -307.786196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.786196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.786196 (E_RNA)
where:
Base-Base interactions energy: -192.011
where: short stacking energy: -104.569
Base-Backbone interact. energy: -0.210
local terms energy: -115.565955
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -30.442
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: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -256.672236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.672236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.672236 (E_RNA)
where:
Base-Base interactions energy: -157.262
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.352
local terms energy: -99.057978
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -266.168258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.168258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.168258 (E_RNA)
where:
Base-Base interactions energy: -166.711
where: short stacking energy: -97.226
Base-Backbone interact. energy: -0.363
local terms energy: -99.093469
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -23.623
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -247.541058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.541058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.541058 (E_RNA)
where:
Base-Base interactions energy: -151.524
where: short stacking energy: -74.450
Base-Backbone interact. energy: -0.115
local terms energy: -95.902341
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -144.150271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.150271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.150271 (E_RNA)
where:
Base-Base interactions energy: -55.662
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.232
local terms energy: -88.256218
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -201.834795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.834795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834795 (E_RNA)
where:
Base-Base interactions energy: -122.992
where: short stacking energy: -52.440
Base-Backbone interact. energy: 1.983
local terms energy: -80.825693
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -211.438069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.438069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.438069 (E_RNA)
where:
Base-Base interactions energy: -126.890
where: short stacking energy: -58.908
Base-Backbone interact. energy: -0.556
local terms energy: -83.992388
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -124.061573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.061573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.061573 (E_RNA)
where:
Base-Base interactions energy: -49.151
where: short stacking energy: -32.892
Base-Backbone interact. energy: -0.910
local terms energy: -74.000754
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -24.320
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -365.733079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.733079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.733079 (E_RNA)
where:
Base-Base interactions energy: -239.024
where: short stacking energy: -105.492
Base-Backbone interact. energy: -0.050
local terms energy: -126.659299
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -34.025
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: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -333.185894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.185894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.185894 (E_RNA)
where:
Base-Base interactions energy: -214.954
where: short stacking energy: -108.159
Base-Backbone interact. energy: 1.188
local terms energy: -119.419826
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -31.279
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: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -308.174393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.174393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.174393 (E_RNA)
where:
Base-Base interactions energy: -197.846
where: short stacking energy: -98.067
Base-Backbone interact. energy: -0.073
local terms energy: -110.255128
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -264.413262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.413262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.413262 (E_RNA)
where:
Base-Base interactions energy: -174.705
where: short stacking energy: -66.479
Base-Backbone interact. energy: -1.352
local terms energy: -88.355485
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -257.055531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.055531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.055531 (E_RNA)
where:
Base-Base interactions energy: -148.935
where: short stacking energy: -77.230
Base-Backbone interact. energy: 1.336
local terms energy: -109.456824
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -24.423
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: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -259.296161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.296161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.296161 (E_RNA)
where:
Base-Base interactions energy: -156.708
where: short stacking energy: -78.334
Base-Backbone interact. energy: -0.212
local terms energy: -102.376019
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -228.437098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.437098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.437098 (E_RNA)
where:
Base-Base interactions energy: -136.941
where: short stacking energy: -70.630
Base-Backbone interact. energy: -0.143
local terms energy: -91.353508
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -121.455673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.455673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.455673 (E_RNA)
where:
Base-Base interactions energy: -63.808
where: short stacking energy: -28.016
Base-Backbone interact. energy: 2.213
local terms energy: -59.860416
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: 3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -224.579882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.579882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.579882 (E_RNA)
where:
Base-Base interactions energy: -136.941
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.512
local terms energy: -87.127168
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -9.857
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: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -112.933218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.933218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.933218 (E_RNA)
where:
Base-Base interactions energy: -50.412
where: short stacking energy: -41.630
Base-Backbone interact. energy: 0.782
local terms energy: -63.303908
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: 1.279
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: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -358.857521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.857521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.857521 (E_RNA)
where:
Base-Base interactions energy: -246.807
where: short stacking energy: -110.613
Base-Backbone interact. energy: -0.040
local terms energy: -112.011187
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -34.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -342.727430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.727430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.727430 (E_RNA)
where:
Base-Base interactions energy: -217.420
where: short stacking energy: -107.171
Base-Backbone interact. energy: -0.006
local terms energy: -125.301803
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -29.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -319.037913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.037913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.037913 (E_RNA)
where:
Base-Base interactions energy: -207.100
where: short stacking energy: -106.579
Base-Backbone interact. energy: 0.516
local terms energy: -112.454107
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -259.785140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.785140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.785140 (E_RNA)
where:
Base-Base interactions energy: -169.002
where: short stacking energy: -82.248
Base-Backbone interact. energy: 3.977
local terms energy: -94.760124
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -15.833
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: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -257.186841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.186841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.186841 (E_RNA)
where:
Base-Base interactions energy: -153.415
where: short stacking energy: -84.893
Base-Backbone interact. energy: 1.759
local terms energy: -105.531080
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -21.720
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -227.672723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.672723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.672723 (E_RNA)
where:
Base-Base interactions energy: -131.737
where: short stacking energy: -66.493
Base-Backbone interact. energy: -0.127
local terms energy: -95.808898
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -16.868
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: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -232.763316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.763316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.763316 (E_RNA)
where:
Base-Base interactions energy: -167.986
where: short stacking energy: -76.498
Base-Backbone interact. energy: 2.039
local terms energy: -66.816119
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -227.356753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.356753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.356753 (E_RNA)
where:
Base-Base interactions energy: -140.568
where: short stacking energy: -50.484
Base-Backbone interact. energy: -0.623
local terms energy: -86.165422
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -117.101366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.101366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.101366 (E_RNA)
where:
Base-Base interactions energy: -56.985
where: short stacking energy: -27.329
Base-Backbone interact. energy: -0.841
local terms energy: -59.276307
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -10.989
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: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -138.970301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.970301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.970301 (E_RNA)
where:
Base-Base interactions energy: -85.153
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.548
local terms energy: -53.270161
where:
bonds (distance) C4'-P energy: -3.305
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -366.024724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.024724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.024724 (E_RNA)
where:
Base-Base interactions energy: -242.747
where: short stacking energy: -108.443
Base-Backbone interact. energy: -0.126
local terms energy: -123.151636
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -36.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -338.803474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.803474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.803474 (E_RNA)
where:
Base-Base interactions energy: -216.832
where: short stacking energy: -100.780
Base-Backbone interact. energy: 0.133
local terms energy: -122.104390
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -31.406
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: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -301.265177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.265177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.265177 (E_RNA)
where:
Base-Base interactions energy: -190.277
where: short stacking energy: -87.673
Base-Backbone interact. energy: -0.035
local terms energy: -110.953326
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -30.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -298.984054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.984054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.984054 (E_RNA)
where:
Base-Base interactions energy: -201.776
where: short stacking energy: -85.958
Base-Backbone interact. energy: -0.792
local terms energy: -96.416127
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -24.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -254.550188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.550188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.550188 (E_RNA)
where:
Base-Base interactions energy: -156.785
where: short stacking energy: -86.508
Base-Backbone interact. energy: -0.125
local terms energy: -97.640645
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -24.084
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: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -254.499808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.499808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.499808 (E_RNA)
where:
Base-Base interactions energy: -160.765
where: short stacking energy: -78.075
Base-Backbone interact. energy: -0.294
local terms energy: -93.440837
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -232.016005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.016005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.016005 (E_RNA)
where:
Base-Base interactions energy: -136.464
where: short stacking energy: -69.185
Base-Backbone interact. energy: -0.051
local terms energy: -95.501780
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -9.813
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: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -225.086196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.086196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.086196 (E_RNA)
where:
Base-Base interactions energy: -130.478
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.098
local terms energy: -94.510703
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -113.968065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.968065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.968065 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -26.656
Base-Backbone interact. energy: -0.311
local terms energy: -81.749777
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -12.707
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: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -111.395808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.395808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.395808 (E_RNA)
where:
Base-Base interactions energy: -39.937
where: short stacking energy: -29.048
Base-Backbone interact. energy: 1.322
local terms energy: -72.780205
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: 1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -361.520908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.520908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.520908 (E_RNA)
where:
Base-Base interactions energy: -245.968
where: short stacking energy: -114.825
Base-Backbone interact. energy: -0.077
local terms energy: -115.475886
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -24.475
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -31.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -322.538883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.538883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.538883 (E_RNA)
where:
Base-Base interactions energy: -215.924
where: short stacking energy: -105.143
Base-Backbone interact. energy: -0.415
local terms energy: -106.199708
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -25.789
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -27.497
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: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -272.913459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.913459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.913459 (E_RNA)
where:
Base-Base interactions energy: -164.399
where: short stacking energy: -85.113
Base-Backbone interact. energy: -0.160
local terms energy: -108.354705
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -18.722
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: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -306.433755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.433755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.433755 (E_RNA)
where:
Base-Base interactions energy: -196.154
where: short stacking energy: -93.974
Base-Backbone interact. energy: -0.083
local terms energy: -110.196620
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -24.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -236.805899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.805899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.805899 (E_RNA)
where:
Base-Base interactions energy: -145.364
where: short stacking energy: -69.134
Base-Backbone interact. energy: -0.257
local terms energy: -91.184138
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -247.900910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.900910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.900910 (E_RNA)
where:
Base-Base interactions energy: -148.128
where: short stacking energy: -78.247
Base-Backbone interact. energy: -0.142
local terms energy: -99.630879
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -16.444
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: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -240.386637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.386637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.386637 (E_RNA)
where:
Base-Base interactions energy: -153.909
where: short stacking energy: -77.746
Base-Backbone interact. energy: -0.313
local terms energy: -86.163781
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -197.905163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.905163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.905163 (E_RNA)
where:
Base-Base interactions energy: -119.213
where: short stacking energy: -59.988
Base-Backbone interact. energy: -0.229
local terms energy: -78.462704
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -106.146490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.146490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.146490 (E_RNA)
where:
Base-Base interactions energy: -49.387
where: short stacking energy: -33.083
Base-Backbone interact. energy: 3.905
local terms energy: -60.664189
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -0.103
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: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -121.006304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.006304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.006304 (E_RNA)
where:
Base-Base interactions energy: -48.652
where: short stacking energy: -29.353
Base-Backbone interact. energy: -0.347
local terms energy: -72.007850
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -10.263
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: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -361.014704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.014704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.014704 (E_RNA)
where:
Base-Base interactions energy: -239.118
where: short stacking energy: -106.211
Base-Backbone interact. energy: -0.058
local terms energy: -121.838910
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -37.088
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: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -334.099776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.099776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.099776 (E_RNA)
where:
Base-Base interactions energy: -225.056
where: short stacking energy: -98.269
Base-Backbone interact. energy: -0.397
local terms energy: -108.646633
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -26.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -307.925626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.925626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.925626 (E_RNA)
where:
Base-Base interactions energy: -194.457
where: short stacking energy: -93.214
Base-Backbone interact. energy: -0.109
local terms energy: -113.360109
where:
bonds (distance) C4'-P energy: -25.527
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -28.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -280.713640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.713640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.713640 (E_RNA)
where:
Base-Base interactions energy: -168.439
where: short stacking energy: -88.143
Base-Backbone interact. energy: -0.075
local terms energy: -112.200145
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -27.447
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: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -221.517092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.517092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.517092 (E_RNA)
where:
Base-Base interactions energy: -123.482
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.729
local terms energy: -97.306368
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -242.423828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.423828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.423828 (E_RNA)
where:
Base-Base interactions energy: -134.363
where: short stacking energy: -66.236
Base-Backbone interact. energy: 1.007
local terms energy: -109.067977
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -20.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -221.501030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.501030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.501030 (E_RNA)
where:
Base-Base interactions energy: -136.542
where: short stacking energy: -73.816
Base-Backbone interact. energy: 0.235
local terms energy: -85.194311
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -12.811
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: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -213.141804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.141804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.141804 (E_RNA)
where:
Base-Base interactions energy: -125.033
where: short stacking energy: -60.260
Base-Backbone interact. energy: 0.739
local terms energy: -88.848400
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -13.413
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: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -120.964070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.964070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.964070 (E_RNA)
where:
Base-Base interactions energy: -55.151
where: short stacking energy: -25.282
Base-Backbone interact. energy: 0.430
local terms energy: -66.242899
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -4.562
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: 140
Temperature: 1.350000
Total energy: -121.607611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.607611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.607611 (E_RNA)
where:
Base-Base interactions energy: -54.007
where: short stacking energy: -40.274
Base-Backbone interact. energy: 0.255
local terms energy: -67.855447
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -8.347
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -14.431
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: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -358.880035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.880035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.880035 (E_RNA)
where:
Base-Base interactions energy: -237.866
where: short stacking energy: -110.563
Base-Backbone interact. energy: -0.284
local terms energy: -120.730041
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -33.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -326.850302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.850302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.850302 (E_RNA)
where:
Base-Base interactions energy: -200.909
where: short stacking energy: -107.875
Base-Backbone interact. energy: -0.173
local terms energy: -125.768384
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -29.471
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: 141
Temperature: 1.000000
Total energy: -330.538415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.538415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.538415 (E_RNA)
where:
Base-Base interactions energy: -216.143
where: short stacking energy: -90.471
Base-Backbone interact. energy: -0.369
local terms energy: -114.026384
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -27.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -264.436000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.436000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.436000 (E_RNA)
where:
Base-Base interactions energy: -164.465
where: short stacking energy: -80.481
Base-Backbone interact. energy: -0.046
local terms energy: -99.925423
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -15.650
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: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -216.462463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.462463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.462463 (E_RNA)
where:
Base-Base interactions energy: -124.485
where: short stacking energy: -60.004
Base-Backbone interact. energy: -0.108
local terms energy: -91.869534
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -23.057
flat angles P-C4'-P energy: -15.327
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: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -215.551462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.551462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.551462 (E_RNA)
where:
Base-Base interactions energy: -131.006
where: short stacking energy: -59.141
Base-Backbone interact. energy: -0.757
local terms energy: -83.788311
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -10.343
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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -248.888565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.888565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.888565 (E_RNA)
where:
Base-Base interactions energy: -144.110
where: short stacking energy: -71.829
Base-Backbone interact. energy: -0.052
local terms energy: -104.726087
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -217.604591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.604591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.604591 (E_RNA)
where:
Base-Base interactions energy: -133.661
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.073
local terms energy: -83.870663
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -120.436968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.436968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.436968 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -43.201
Base-Backbone interact. energy: -0.378
local terms energy: -76.858078
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -9.271
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: 141
Temperature: 1.350000
Total energy: -114.492137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.492137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.492137 (E_RNA)
where:
Base-Base interactions energy: -50.954
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.296
local terms energy: -63.242203
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: 0.543
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: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -354.512614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.512614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.512614 (E_RNA)
where:
Base-Base interactions energy: -239.269
where: short stacking energy: -104.209
Base-Backbone interact. energy: -0.537
local terms energy: -114.705800
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -319.008500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.008500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.008500 (E_RNA)
where:
Base-Base interactions energy: -204.427
where: short stacking energy: -98.248
Base-Backbone interact. energy: -0.092
local terms energy: -114.489293
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -30.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -339.608280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.608280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.608280 (E_RNA)
where:
Base-Base interactions energy: -226.774
where: short stacking energy: -104.439
Base-Backbone interact. energy: 0.012
local terms energy: -112.846168
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -31.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -254.432747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.432747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.432747 (E_RNA)
where:
Base-Base interactions energy: -148.131
where: short stacking energy: -79.920
Base-Backbone interact. energy: -0.141
local terms energy: -106.160021
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -247.019780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.019780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.019780 (E_RNA)
where:
Base-Base interactions energy: -153.934
where: short stacking energy: -74.087
Base-Backbone interact. energy: -0.206
local terms energy: -92.879236
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -13.749
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: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -252.619187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.619187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.619187 (E_RNA)
where:
Base-Base interactions energy: -154.810
where: short stacking energy: -86.074
Base-Backbone interact. energy: -0.196
local terms energy: -97.613677
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -236.825153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.825153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.825153 (E_RNA)
where:
Base-Base interactions energy: -144.956
where: short stacking energy: -71.257
Base-Backbone interact. energy: -0.084
local terms energy: -91.784929
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -10.206
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: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -226.181593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.181593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.181593 (E_RNA)
where:
Base-Base interactions energy: -136.670
where: short stacking energy: -63.979
Base-Backbone interact. energy: -0.017
local terms energy: -89.494650
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -10.871
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: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -112.235134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.235134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.235134 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -35.523
Base-Backbone interact. energy: -0.255
local terms energy: -74.373170
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -7.504
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: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -115.537779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.537779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.537779 (E_RNA)
where:
Base-Base interactions energy: -46.125
where: short stacking energy: -38.119
Base-Backbone interact. energy: 0.131
local terms energy: -69.544190
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: 0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -354.074735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.074735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.074735 (E_RNA)
where:
Base-Base interactions energy: -230.785
where: short stacking energy: -100.350
Base-Backbone interact. energy: -0.090
local terms energy: -123.200240
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -32.934
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: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -333.331743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.331743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.331743 (E_RNA)
where:
Base-Base interactions energy: -214.617
where: short stacking energy: -95.347
Base-Backbone interact. energy: -0.166
local terms energy: -118.549245
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -24.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -302.580453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.580453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.580453 (E_RNA)
where:
Base-Base interactions energy: -195.080
where: short stacking energy: -108.529
Base-Backbone interact. energy: -0.007
local terms energy: -107.493372
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -19.987
tors. eta vs tors. theta energy: -32.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -261.786673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.786673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.786673 (E_RNA)
where:
Base-Base interactions energy: -161.561
where: short stacking energy: -74.802
Base-Backbone interact. energy: -0.373
local terms energy: -99.852357
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -26.780
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -233.755047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.755047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.755047 (E_RNA)
where:
Base-Base interactions energy: -146.861
where: short stacking energy: -77.368
Base-Backbone interact. energy: -0.373
local terms energy: -86.521005
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -19.702
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: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -248.531729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.531729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.531729 (E_RNA)
where:
Base-Base interactions energy: -149.676
where: short stacking energy: -68.345
Base-Backbone interact. energy: -0.069
local terms energy: -98.786985
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -14.304
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: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -232.975961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.975961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.975961 (E_RNA)
where:
Base-Base interactions energy: -133.757
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.104
local terms energy: -99.115842
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -233.356391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.356391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.356391 (E_RNA)
where:
Base-Base interactions energy: -138.275
where: short stacking energy: -62.074
Base-Backbone interact. energy: -1.256
local terms energy: -93.824738
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -108.079137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.079137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.079137 (E_RNA)
where:
Base-Base interactions energy: -39.586
where: short stacking energy: -33.389
Base-Backbone interact. energy: -0.750
local terms energy: -67.743229
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: 8.716
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: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -107.468982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.468982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.468982 (E_RNA)
where:
Base-Base interactions energy: -49.770
where: short stacking energy: -34.518
Base-Backbone interact. energy: -0.274
local terms energy: -57.425400
where:
bonds (distance) C4'-P energy: -24.431
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: 2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -337.000232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.000232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.000232 (E_RNA)
where:
Base-Base interactions energy: -232.186
where: short stacking energy: -89.739
Base-Backbone interact. energy: -1.394
local terms energy: -103.420409
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -19.760
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: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -353.512245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.512245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.512245 (E_RNA)
where:
Base-Base interactions energy: -228.380
where: short stacking energy: -97.846
Base-Backbone interact. energy: -0.331
local terms energy: -124.801143
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -35.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -313.583487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.583487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.583487 (E_RNA)
where:
Base-Base interactions energy: -192.405
where: short stacking energy: -106.605
Base-Backbone interact. energy: -0.454
local terms energy: -120.724805
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -31.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -279.865250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.865250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.865250 (E_RNA)
where:
Base-Base interactions energy: -184.019
where: short stacking energy: -90.298
Base-Backbone interact. energy: -1.117
local terms energy: -94.729107
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -14.524
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: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -265.609611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.609611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.609611 (E_RNA)
where:
Base-Base interactions energy: -163.144
where: short stacking energy: -83.910
Base-Backbone interact. energy: -0.103
local terms energy: -102.362204
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -240.069454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.069454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.069454 (E_RNA)
where:
Base-Base interactions energy: -143.433
where: short stacking energy: -71.367
Base-Backbone interact. energy: 0.399
local terms energy: -97.035507
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -13.498
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: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -224.014695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.014695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.014695 (E_RNA)
where:
Base-Base interactions energy: -133.838
where: short stacking energy: -65.647
Base-Backbone interact. energy: 2.944
local terms energy: -93.121001
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -18.873
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: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -219.697777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.697777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.697777 (E_RNA)
where:
Base-Base interactions energy: -128.391
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.102
local terms energy: -91.205003
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -27.550
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -124.406995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.406995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.406995 (E_RNA)
where:
Base-Base interactions energy: -45.115
where: short stacking energy: -45.115
Base-Backbone interact. energy: -0.150
local terms energy: -79.142199
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -101.640727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.640727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.640727 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -32.582
Base-Backbone interact. energy: -1.481
local terms energy: -67.577648
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -336.760276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.760276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.760276 (E_RNA)
where:
Base-Base interactions energy: -222.298
where: short stacking energy: -99.752
Base-Backbone interact. energy: 0.030
local terms energy: -114.492050
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -30.148
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: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -350.094506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.094506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.094506 (E_RNA)
where:
Base-Base interactions energy: -224.088
where: short stacking energy: -97.401
Base-Backbone interact. energy: -0.519
local terms energy: -125.486935
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -33.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -303.475389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.475389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.475389 (E_RNA)
where:
Base-Base interactions energy: -196.642
where: short stacking energy: -96.126
Base-Backbone interact. energy: -1.302
local terms energy: -105.531726
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -280.108599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.108599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.108599 (E_RNA)
where:
Base-Base interactions energy: -167.946
where: short stacking energy: -78.842
Base-Backbone interact. energy: -1.069
local terms energy: -111.093322
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -23.431
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: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -268.955505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.955505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.955505 (E_RNA)
where:
Base-Base interactions energy: -165.029
where: short stacking energy: -78.566
Base-Backbone interact. energy: 2.247
local terms energy: -106.173852
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -243.137646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.137646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.137646 (E_RNA)
where:
Base-Base interactions energy: -135.546
where: short stacking energy: -69.909
Base-Backbone interact. energy: -0.363
local terms energy: -107.229263
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -232.316422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.316422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.316422 (E_RNA)
where:
Base-Base interactions energy: -134.478
where: short stacking energy: -61.016
Base-Backbone interact. energy: -1.194
local terms energy: -96.644577
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -17.924
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: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -222.732941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.732941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.732941 (E_RNA)
where:
Base-Base interactions energy: -137.963
where: short stacking energy: -65.739
Base-Backbone interact. energy: -0.184
local terms energy: -84.586079
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -13.162
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: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -114.684377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.684377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.684377 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.224
local terms energy: -82.099391
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -124.459794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.459794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.459794 (E_RNA)
where:
Base-Base interactions energy: -56.937
where: short stacking energy: -26.310
Base-Backbone interact. energy: -0.227
local terms energy: -67.295684
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -364.555485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.555485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.555485 (E_RNA)
where:
Base-Base interactions energy: -239.537
where: short stacking energy: -103.539
Base-Backbone interact. energy: -0.714
local terms energy: -124.304947
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -35.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -340.333653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.333653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.333653 (E_RNA)
where:
Base-Base interactions energy: -224.299
where: short stacking energy: -100.909
Base-Backbone interact. energy: 0.266
local terms energy: -116.300625
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -27.753
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: 146
Temperature: 1.000000
Total energy: -318.793639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.793639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.793639 (E_RNA)
where:
Base-Base interactions energy: -199.687
where: short stacking energy: -95.005
Base-Backbone interact. energy: -0.080
local terms energy: -119.026978
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -26.279
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -29.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -259.971427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.971427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.971427 (E_RNA)
where:
Base-Base interactions energy: -157.117
where: short stacking energy: -72.243
Base-Backbone interact. energy: -0.019
local terms energy: -102.835990
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -26.371
flat angles C4'-P-C4' energy: -24.625
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -14.711
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: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -249.106102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.106102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.106102 (E_RNA)
where:
Base-Base interactions energy: -152.648
where: short stacking energy: -72.824
Base-Backbone interact. energy: -0.065
local terms energy: -96.393045
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -249.795999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.795999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.795999 (E_RNA)
where:
Base-Base interactions energy: -157.734
where: short stacking energy: -70.386
Base-Backbone interact. energy: -0.233
local terms energy: -91.829302
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -242.063027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.063027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.063027 (E_RNA)
where:
Base-Base interactions energy: -152.023
where: short stacking energy: -71.038
Base-Backbone interact. energy: 0.213
local terms energy: -90.253223
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -10.012
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: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -228.884993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.884993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.884993 (E_RNA)
where:
Base-Base interactions energy: -141.705
where: short stacking energy: -64.887
Base-Backbone interact. energy: 0.472
local terms energy: -87.652018
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -133.570562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.570562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.570562 (E_RNA)
where:
Base-Base interactions energy: -56.477
where: short stacking energy: -34.892
Base-Backbone interact. energy: -1.339
local terms energy: -75.754435
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -114.773742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.773742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.773742 (E_RNA)
where:
Base-Base interactions energy: -39.618
where: short stacking energy: -30.352
Base-Backbone interact. energy: -0.668
local terms energy: -74.487839
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -356.081590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.081590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.081590 (E_RNA)
where:
Base-Base interactions energy: -230.122
where: short stacking energy: -98.483
Base-Backbone interact. energy: -0.514
local terms energy: -125.444939
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -30.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -336.297734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.297734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.297734 (E_RNA)
where:
Base-Base interactions energy: -220.492
where: short stacking energy: -101.916
Base-Backbone interact. energy: -0.290
local terms energy: -115.514961
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -304.544962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.544962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.544962 (E_RNA)
where:
Base-Base interactions energy: -202.271
where: short stacking energy: -93.805
Base-Backbone interact. energy: -0.162
local terms energy: -102.112803
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -23.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -265.782247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.782247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.782247 (E_RNA)
where:
Base-Base interactions energy: -156.520
where: short stacking energy: -75.346
Base-Backbone interact. energy: -0.104
local terms energy: -109.157716
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -17.613
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: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -238.759975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.759975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.759975 (E_RNA)
where:
Base-Base interactions energy: -150.822
where: short stacking energy: -75.359
Base-Backbone interact. energy: -0.265
local terms energy: -87.673635
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -241.522149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.522149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.522149 (E_RNA)
where:
Base-Base interactions energy: -143.555
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.906
local terms energy: -97.060790
where:
bonds (distance) C4'-P energy: -27.188
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -24.204
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -11.710
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: 147
Temperature: 1.200000
Total energy: -220.736541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.736541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.736541 (E_RNA)
where:
Base-Base interactions energy: -141.723
where: short stacking energy: -68.383
Base-Backbone interact. energy: -0.226
local terms energy: -78.787238
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -13.831
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: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -258.836939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.836939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.836939 (E_RNA)
where:
Base-Base interactions energy: -163.460
where: short stacking energy: -74.320
Base-Backbone interact. energy: -0.439
local terms energy: -94.937720
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -11.775
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: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -161.413704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.413704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.413704 (E_RNA)
where:
Base-Base interactions energy: -83.095
where: short stacking energy: -49.981
Base-Backbone interact. energy: -0.237
local terms energy: -78.081406
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -177.495706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.495706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.495706 (E_RNA)
where:
Base-Base interactions energy: -88.523
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.191
local terms energy: -88.782074
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -14.691
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: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -360.103732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.103732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.103732 (E_RNA)
where:
Base-Base interactions energy: -235.126
where: short stacking energy: -108.870
Base-Backbone interact. energy: 1.071
local terms energy: -126.048338
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -28.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -329.460863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.460863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.460863 (E_RNA)
where:
Base-Base interactions energy: -216.204
where: short stacking energy: -92.020
Base-Backbone interact. energy: -0.140
local terms energy: -113.116732
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: -27.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -311.256120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.256120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.256120 (E_RNA)
where:
Base-Base interactions energy: -199.810
where: short stacking energy: -99.561
Base-Backbone interact. energy: -0.416
local terms energy: -111.030195
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -26.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -265.451553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.451553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.451553 (E_RNA)
where:
Base-Base interactions energy: -160.248
where: short stacking energy: -88.070
Base-Backbone interact. energy: -0.178
local terms energy: -105.025830
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -24.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -248.869570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.869570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.869570 (E_RNA)
where:
Base-Base interactions energy: -146.809
where: short stacking energy: -79.607
Base-Backbone interact. energy: 0.796
local terms energy: -102.856207
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -256.968489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.968489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.968489 (E_RNA)
where:
Base-Base interactions energy: -155.062
where: short stacking energy: -69.536
Base-Backbone interact. energy: -0.186
local terms energy: -101.719932
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -17.690
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: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -245.719938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.719938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.719938 (E_RNA)
where:
Base-Base interactions energy: -157.559
where: short stacking energy: -71.548
Base-Backbone interact. energy: 0.688
local terms energy: -88.848373
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -217.313825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.313825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.313825 (E_RNA)
where:
Base-Base interactions energy: -119.039
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.159
local terms energy: -98.116170
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -14.978
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: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -210.907051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.907051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.907051 (E_RNA)
where:
Base-Base interactions energy: -134.066
where: short stacking energy: -67.670
Base-Backbone interact. energy: -0.586
local terms energy: -76.254613
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -101.148467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.148467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.148467 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -28.729
Base-Backbone interact. energy: -0.347
local terms energy: -61.934646
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: 6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -352.186673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.186673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.186673 (E_RNA)
where:
Base-Base interactions energy: -225.998
where: short stacking energy: -102.637
Base-Backbone interact. energy: -0.011
local terms energy: -126.177503
where:
bonds (distance) C4'-P energy: -27.379
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -344.485413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.485413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.485413 (E_RNA)
where:
Base-Base interactions energy: -234.009
where: short stacking energy: -100.778
Base-Backbone interact. energy: -0.365
local terms energy: -110.111550
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -32.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -313.001919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.001919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.001919 (E_RNA)
where:
Base-Base interactions energy: -193.699
where: short stacking energy: -101.719
Base-Backbone interact. energy: -0.042
local terms energy: -119.260667
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -281.156117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.156117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.156117 (E_RNA)
where:
Base-Base interactions energy: -175.263
where: short stacking energy: -76.557
Base-Backbone interact. energy: -0.515
local terms energy: -105.378284
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -256.269249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.269249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.269249 (E_RNA)
where:
Base-Base interactions energy: -158.716
where: short stacking energy: -70.387
Base-Backbone interact. energy: -0.021
local terms energy: -97.532667
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -254.517785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.517785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.517785 (E_RNA)
where:
Base-Base interactions energy: -147.453
where: short stacking energy: -78.091
Base-Backbone interact. energy: -0.329
local terms energy: -106.735748
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -25.723
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -23.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -227.005248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.005248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.005248 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -71.791
Base-Backbone interact. energy: -0.418
local terms energy: -84.885708
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -221.938707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.938707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.938707 (E_RNA)
where:
Base-Base interactions energy: -136.798
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.147
local terms energy: -84.993069
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -16.262
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: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -180.037833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.037833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.037833 (E_RNA)
where:
Base-Base interactions energy: -103.794
where: short stacking energy: -47.402
Base-Backbone interact. energy: -1.112
local terms energy: -75.132327
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -105.283797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.283797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.283797 (E_RNA)
where:
Base-Base interactions energy: -51.417
where: short stacking energy: -49.406
Base-Backbone interact. energy: -0.282
local terms energy: -53.584757
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -6.555
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -359.968771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.968771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.968771 (E_RNA)
where:
Base-Base interactions energy: -244.028
where: short stacking energy: -105.560
Base-Backbone interact. energy: -0.239
local terms energy: -115.701456
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -32.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -350.799229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.799229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.799229 (E_RNA)
where:
Base-Base interactions energy: -230.218
where: short stacking energy: -108.480
Base-Backbone interact. energy: -0.051
local terms energy: -120.530530
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -32.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -292.012037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.012037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.012037 (E_RNA)
where:
Base-Base interactions energy: -177.770
where: short stacking energy: -81.330
Base-Backbone interact. energy: -0.156
local terms energy: -114.085502
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -28.910
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -17.271
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: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -275.427569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.427569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.427569 (E_RNA)
where:
Base-Base interactions energy: -176.713
where: short stacking energy: -91.509
Base-Backbone interact. energy: -0.760
local terms energy: -97.953866
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -259.733718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.733718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.733718 (E_RNA)
where:
Base-Base interactions energy: -159.033
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.236
local terms energy: -100.464867
where:
bonds (distance) C4'-P energy: -25.880
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -14.194
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: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -246.830426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.830426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.830426 (E_RNA)
where:
Base-Base interactions energy: -155.183
where: short stacking energy: -64.373
Base-Backbone interact. energy: 0.738
local terms energy: -92.385220
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -13.056
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: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -229.740692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.740692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.740692 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -70.084
Base-Backbone interact. energy: 0.566
local terms energy: -91.818305
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -216.248927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.248927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.248927 (E_RNA)
where:
Base-Base interactions energy: -126.727
where: short stacking energy: -54.498
Base-Backbone interact. energy: -0.117
local terms energy: -89.405554
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -10.031
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: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -185.413160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.413160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.413160 (E_RNA)
where:
Base-Base interactions energy: -108.476
where: short stacking energy: -57.585
Base-Backbone interact. energy: -0.205
local terms energy: -76.732990
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -12.637
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: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -107.703694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.703694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.703694 (E_RNA)
where:
Base-Base interactions energy: -35.686
where: short stacking energy: -34.311
Base-Backbone interact. energy: -1.364
local terms energy: -70.653248
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: 7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -348.792678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.792678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.792678 (E_RNA)
where:
Base-Base interactions energy: -229.501
where: short stacking energy: -106.110
Base-Backbone interact. energy: -0.263
local terms energy: -119.028264
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -18.892
tors. eta vs tors. theta energy: -33.234
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: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -355.003206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.003206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.003206 (E_RNA)
where:
Base-Base interactions energy: -234.714
where: short stacking energy: -102.379
Base-Backbone interact. energy: -0.293
local terms energy: -119.996312
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -31.472
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: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -304.306157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.306157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.306157 (E_RNA)
where:
Base-Base interactions energy: -198.558
where: short stacking energy: -89.570
Base-Backbone interact. energy: -0.095
local terms energy: -105.653415
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -25.464
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -22.599
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: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -261.491731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.491731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.491731 (E_RNA)
where:
Base-Base interactions energy: -156.676
where: short stacking energy: -75.117
Base-Backbone interact. energy: -0.081
local terms energy: -104.734944
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -13.400
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: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -237.030847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.030847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.030847 (E_RNA)
where:
Base-Base interactions energy: -142.023
where: short stacking energy: -70.983
Base-Backbone interact. energy: -0.336
local terms energy: -94.671884
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -16.892
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: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -253.035436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.035436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.035436 (E_RNA)
where:
Base-Base interactions energy: -162.835
where: short stacking energy: -77.566
Base-Backbone interact. energy: 0.930
local terms energy: -91.130850
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -243.250339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.250339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.250339 (E_RNA)
where:
Base-Base interactions energy: -153.734
where: short stacking energy: -86.278
Base-Backbone interact. energy: -0.229
local terms energy: -89.287669
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -218.090052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.090052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.090052 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -56.874
Base-Backbone interact. energy: -0.941
local terms energy: -88.636234
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -217.945257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.945257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.945257 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -68.511
Base-Backbone interact. energy: 0.687
local terms energy: -81.083894
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -15.385
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: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -110.616931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.616931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.616931 (E_RNA)
where:
Base-Base interactions energy: -51.749
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.621
local terms energy: -58.246590
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: 5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -358.295239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.295239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.295239 (E_RNA)
where:
Base-Base interactions energy: -233.218
where: short stacking energy: -108.678
Base-Backbone interact. energy: -0.147
local terms energy: -124.930704
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -345.874056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.874056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.874056 (E_RNA)
where:
Base-Base interactions energy: -235.710
where: short stacking energy: -107.270
Base-Backbone interact. energy: -0.107
local terms energy: -110.056209
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -25.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -294.462957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.462957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.462957 (E_RNA)
where:
Base-Base interactions energy: -187.649
where: short stacking energy: -93.448
Base-Backbone interact. energy: -0.150
local terms energy: -106.664148
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -266.860359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.860359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.860359 (E_RNA)
where:
Base-Base interactions energy: -161.308
where: short stacking energy: -84.859
Base-Backbone interact. energy: 1.361
local terms energy: -106.914002
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -250.823565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.823565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.823565 (E_RNA)
where:
Base-Base interactions energy: -156.538
where: short stacking energy: -77.672
Base-Backbone interact. energy: 4.263
local terms energy: -98.548597
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -16.375
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: 152
Temperature: 1.150000
Total energy: -247.407405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.407405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.407405 (E_RNA)
where:
Base-Base interactions energy: -152.595
where: short stacking energy: -81.658
Base-Backbone interact. energy: -1.080
local terms energy: -93.732762
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -235.382523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.382523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.382523 (E_RNA)
where:
Base-Base interactions energy: -144.476
where: short stacking energy: -71.594
Base-Backbone interact. energy: -0.111
local terms energy: -90.795529
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -233.098099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.098099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.098099 (E_RNA)
where:
Base-Base interactions energy: -156.230
where: short stacking energy: -80.144
Base-Backbone interact. energy: -0.436
local terms energy: -76.432018
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -14.711
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: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -196.827411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.827411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.827411 (E_RNA)
where:
Base-Base interactions energy: -126.265
where: short stacking energy: -51.627
Base-Backbone interact. energy: 0.424
local terms energy: -70.986041
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -116.944668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.944668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.944668 (E_RNA)
where:
Base-Base interactions energy: -43.492
where: short stacking energy: -24.847
Base-Backbone interact. energy: 0.565
local terms energy: -74.016974
where:
bonds (distance) C4'-P energy: -25.835
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -347.407993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.407993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.407993 (E_RNA)
where:
Base-Base interactions energy: -235.094
where: short stacking energy: -100.672
Base-Backbone interact. energy: -0.233
local terms energy: -112.080661
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -30.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -328.427491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.427491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.427491 (E_RNA)
where:
Base-Base interactions energy: -213.223
where: short stacking energy: -103.652
Base-Backbone interact. energy: -0.018
local terms energy: -115.186755
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -26.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -312.569102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.569102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.569102 (E_RNA)
where:
Base-Base interactions energy: -211.205
where: short stacking energy: -93.213
Base-Backbone interact. energy: 0.541
local terms energy: -101.905288
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -266.300403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.300403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.300403 (E_RNA)
where:
Base-Base interactions energy: -163.205
where: short stacking energy: -84.509
Base-Backbone interact. energy: -0.033
local terms energy: -103.061812
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -24.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -249.023365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.023365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.023365 (E_RNA)
where:
Base-Base interactions energy: -144.327
where: short stacking energy: -73.032
Base-Backbone interact. energy: 0.104
local terms energy: -104.800553
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -24.339
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: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -244.182489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.182489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.182489 (E_RNA)
where:
Base-Base interactions energy: -150.465
where: short stacking energy: -72.232
Base-Backbone interact. energy: 1.100
local terms energy: -94.817453
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -12.532
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: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -234.017048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.017048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.017048 (E_RNA)
where:
Base-Base interactions energy: -149.549
where: short stacking energy: -67.855
Base-Backbone interact. energy: -0.705
local terms energy: -83.762452
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -16.341
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: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -221.449201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.449201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.449201 (E_RNA)
where:
Base-Base interactions energy: -146.716
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.091
local terms energy: -74.642056
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -211.689940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.689940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.689940 (E_RNA)
where:
Base-Base interactions energy: -134.157
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.139
local terms energy: -77.393580
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -17.394
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: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -109.714045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.714045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.714045 (E_RNA)
where:
Base-Base interactions energy: -42.523
where: short stacking energy: -43.061
Base-Backbone interact. energy: -0.041
local terms energy: -67.150611
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -373.657028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.657028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.657028 (E_RNA)
where:
Base-Base interactions energy: -254.894
where: short stacking energy: -109.806
Base-Backbone interact. energy: -0.086
local terms energy: -118.676531
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -29.786
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: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -319.443998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.443998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.443998 (E_RNA)
where:
Base-Base interactions energy: -212.427
where: short stacking energy: -99.221
Base-Backbone interact. energy: -0.336
local terms energy: -106.681176
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -24.780
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: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -316.321913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.321913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.321913 (E_RNA)
where:
Base-Base interactions energy: -191.924
where: short stacking energy: -97.003
Base-Backbone interact. energy: -0.468
local terms energy: -123.929991
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -29.890
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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -265.702974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.702974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.702974 (E_RNA)
where:
Base-Base interactions energy: -166.212
where: short stacking energy: -89.921
Base-Backbone interact. energy: -0.071
local terms energy: -99.420291
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -24.162
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -21.028
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: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -248.814698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.814698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.814698 (E_RNA)
where:
Base-Base interactions energy: -150.211
where: short stacking energy: -78.561
Base-Backbone interact. energy: -0.018
local terms energy: -98.586001
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -23.844
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: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -247.337957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.337957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.337957 (E_RNA)
where:
Base-Base interactions energy: -151.621
where: short stacking energy: -65.838
Base-Backbone interact. energy: -0.098
local terms energy: -95.619342
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -232.319866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.319866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.319866 (E_RNA)
where:
Base-Base interactions energy: -141.098
where: short stacking energy: -77.920
Base-Backbone interact. energy: -0.015
local terms energy: -91.207033
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -22.071
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: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -229.728700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.728700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.728700 (E_RNA)
where:
Base-Base interactions energy: -136.063
where: short stacking energy: -52.708
Base-Backbone interact. energy: -1.010
local terms energy: -92.655755
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -191.025902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.025902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.025902 (E_RNA)
where:
Base-Base interactions energy: -102.860
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.367
local terms energy: -87.798940
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -3.483
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: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -103.429009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.429009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.429009 (E_RNA)
where:
Base-Base interactions energy: -39.200
where: short stacking energy: -27.444
Base-Backbone interact. energy: -2.258
local terms energy: -61.970534
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: 4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -352.291993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.291993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.291993 (E_RNA)
where:
Base-Base interactions energy: -245.149
where: short stacking energy: -110.768
Base-Backbone interact. energy: 0.922
local terms energy: -108.064707
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -24.569
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -27.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -305.295253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.295253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.295253 (E_RNA)
where:
Base-Base interactions energy: -200.437
where: short stacking energy: -97.068
Base-Backbone interact. energy: -0.306
local terms energy: -104.552388
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -306.606516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.606516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.606516 (E_RNA)
where:
Base-Base interactions energy: -199.551
where: short stacking energy: -94.867
Base-Backbone interact. energy: -0.243
local terms energy: -106.813075
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -22.469
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: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -271.405622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.405622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.405622 (E_RNA)
where:
Base-Base interactions energy: -170.194
where: short stacking energy: -83.887
Base-Backbone interact. energy: 0.676
local terms energy: -101.887214
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -252.224220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.224220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.224220 (E_RNA)
where:
Base-Base interactions energy: -159.930
where: short stacking energy: -76.617
Base-Backbone interact. energy: -1.034
local terms energy: -91.260841
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -249.681302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.681302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.681302 (E_RNA)
where:
Base-Base interactions energy: -148.174
where: short stacking energy: -72.572
Base-Backbone interact. energy: -0.030
local terms energy: -101.477497
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -203.622945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.622945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.622945 (E_RNA)
where:
Base-Base interactions energy: -127.002
where: short stacking energy: -61.022
Base-Backbone interact. energy: -0.172
local terms energy: -76.449293
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -228.180851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.180851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.180851 (E_RNA)
where:
Base-Base interactions energy: -135.809
where: short stacking energy: -77.895
Base-Backbone interact. energy: -0.665
local terms energy: -91.706617
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -18.508
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: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -196.358881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.358881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.358881 (E_RNA)
where:
Base-Base interactions energy: -108.402
where: short stacking energy: -47.717
Base-Backbone interact. energy: -1.177
local terms energy: -86.780030
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -11.942
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: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -104.013983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.013983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.013983 (E_RNA)
where:
Base-Base interactions energy: -45.992
where: short stacking energy: -21.929
Base-Backbone interact. energy: -0.093
local terms energy: -57.929047
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: 4.877
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: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -360.604179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.604179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.604179 (E_RNA)
where:
Base-Base interactions energy: -234.773
where: short stacking energy: -113.587
Base-Backbone interact. energy: -0.127
local terms energy: -125.703501
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -34.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -327.389160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.389160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.389160 (E_RNA)
where:
Base-Base interactions energy: -217.513
where: short stacking energy: -90.754
Base-Backbone interact. energy: -0.120
local terms energy: -109.755991
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -27.005
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: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -311.737001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.737001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.737001 (E_RNA)
where:
Base-Base interactions energy: -196.277
where: short stacking energy: -93.709
Base-Backbone interact. energy: -0.059
local terms energy: -115.400316
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -26.680
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -266.061980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.061980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.061980 (E_RNA)
where:
Base-Base interactions energy: -167.378
where: short stacking energy: -75.692
Base-Backbone interact. energy: 1.133
local terms energy: -99.817546
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -241.550018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.550018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.550018 (E_RNA)
where:
Base-Base interactions energy: -144.629
where: short stacking energy: -76.928
Base-Backbone interact. energy: 0.535
local terms energy: -97.456295
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -230.942131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.942131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.942131 (E_RNA)
where:
Base-Base interactions energy: -144.784
where: short stacking energy: -67.167
Base-Backbone interact. energy: -0.195
local terms energy: -85.963254
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -234.331506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.331506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.331506 (E_RNA)
where:
Base-Base interactions energy: -137.212
where: short stacking energy: -66.643
Base-Backbone interact. energy: -0.357
local terms energy: -96.761699
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -9.886
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: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -197.739934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.739934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.739934 (E_RNA)
where:
Base-Base interactions energy: -116.891
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.646
local terms energy: -80.203232
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -12.651
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: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -219.307182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.307182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.307182 (E_RNA)
where:
Base-Base interactions energy: -121.011
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.118
local terms energy: -98.178456
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -18.212
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: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -118.569178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.569178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.569178 (E_RNA)
where:
Base-Base interactions energy: -43.267
where: short stacking energy: -43.267
Base-Backbone interact. energy: -0.746
local terms energy: -74.555667
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -357.149754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.149754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.149754 (E_RNA)
where:
Base-Base interactions energy: -244.601
where: short stacking energy: -100.814
Base-Backbone interact. energy: -0.118
local terms energy: -112.430441
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -310.635295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.635295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.635295 (E_RNA)
where:
Base-Base interactions energy: -199.336
where: short stacking energy: -84.679
Base-Backbone interact. energy: -1.851
local terms energy: -109.448303
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -19.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -316.110440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.110440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.110440 (E_RNA)
where:
Base-Base interactions energy: -205.763
where: short stacking energy: -104.073
Base-Backbone interact. energy: -0.011
local terms energy: -110.336906
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -30.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -253.175684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.175684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.175684 (E_RNA)
where:
Base-Base interactions energy: -150.392
where: short stacking energy: -78.745
Base-Backbone interact. energy: -0.222
local terms energy: -102.561555
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -18.959
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: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -262.245140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.245140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.245140 (E_RNA)
where:
Base-Base interactions energy: -156.917
where: short stacking energy: -87.528
Base-Backbone interact. energy: -0.004
local terms energy: -105.324234
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -242.180034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.180034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.180034 (E_RNA)
where:
Base-Base interactions energy: -158.424
where: short stacking energy: -71.899
Base-Backbone interact. energy: -0.656
local terms energy: -83.100630
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -230.544212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.544212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.544212 (E_RNA)
where:
Base-Base interactions energy: -140.779
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.121
local terms energy: -89.643653
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -14.697
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: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -217.973066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.973066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.973066 (E_RNA)
where:
Base-Base interactions energy: -127.858
where: short stacking energy: -57.036
Base-Backbone interact. energy: -1.260
local terms energy: -88.854475
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -208.792887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.792887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.792887 (E_RNA)
where:
Base-Base interactions energy: -122.034
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.054
local terms energy: -86.704897
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -105.820103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.820103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.820103 (E_RNA)
where:
Base-Base interactions energy: -37.636
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.154
local terms energy: -68.030103
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -323.490516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.490516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.490516 (E_RNA)
where:
Base-Base interactions energy: -202.683
where: short stacking energy: -96.815
Base-Backbone interact. energy: -0.119
local terms energy: -120.688363
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -344.574359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.574359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.574359 (E_RNA)
where:
Base-Base interactions energy: -221.193
where: short stacking energy: -102.693
Base-Backbone interact. energy: -0.150
local terms energy: -123.231614
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -34.693
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: 158
Temperature: 1.000000
Total energy: -286.245357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.245357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.245357 (E_RNA)
where:
Base-Base interactions energy: -182.197
where: short stacking energy: -90.768
Base-Backbone interact. energy: -0.070
local terms energy: -103.977818
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -21.937
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: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -310.003841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.003841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.003841 (E_RNA)
where:
Base-Base interactions energy: -198.849
where: short stacking energy: -83.804
Base-Backbone interact. energy: -0.263
local terms energy: -110.891979
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -239.913017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.913017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.913017 (E_RNA)
where:
Base-Base interactions energy: -149.870
where: short stacking energy: -76.143
Base-Backbone interact. energy: -0.075
local terms energy: -89.967747
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -239.636089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.636089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.636089 (E_RNA)
where:
Base-Base interactions energy: -155.313
where: short stacking energy: -67.851
Base-Backbone interact. energy: -0.358
local terms energy: -83.964696
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.695
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: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -229.475596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.475596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.475596 (E_RNA)
where:
Base-Base interactions energy: -138.648
where: short stacking energy: -62.780
Base-Backbone interact. energy: -1.284
local terms energy: -89.543352
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -217.400111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.400111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.400111 (E_RNA)
where:
Base-Base interactions energy: -135.338
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.018
local terms energy: -82.043915
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -12.616
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: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -202.984082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.984082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.984082 (E_RNA)
where:
Base-Base interactions energy: -112.326
where: short stacking energy: -49.558
Base-Backbone interact. energy: -0.238
local terms energy: -90.420303
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -7.562
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: 158
Temperature: 1.350000
Total energy: -112.925744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.925744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.925744 (E_RNA)
where:
Base-Base interactions energy: -43.993
where: short stacking energy: -38.812
Base-Backbone interact. energy: 0.317
local terms energy: -69.249529
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -13.960
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: 159
Temperature: 0.900000
Total energy: -315.036998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.036998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.036998 (E_RNA)
where:
Base-Base interactions energy: -190.937
where: short stacking energy: -100.550
Base-Backbone interact. energy: -0.504
local terms energy: -123.595990
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -28.021
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -28.349
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: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -353.784055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.784055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.784055 (E_RNA)
where:
Base-Base interactions energy: -225.810
where: short stacking energy: -105.577
Base-Backbone interact. energy: -0.088
local terms energy: -127.886005
where:
bonds (distance) C4'-P energy: -26.029
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -33.510
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: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -268.792503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.792503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.792503 (E_RNA)
where:
Base-Base interactions energy: -174.087
where: short stacking energy: -88.711
Base-Backbone interact. energy: -0.342
local terms energy: -94.363503
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -304.357378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.357378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.357378 (E_RNA)
where:
Base-Base interactions energy: -196.097
where: short stacking energy: -91.172
Base-Backbone interact. energy: -0.370
local terms energy: -107.890225
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -26.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -242.322507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.322507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.322507 (E_RNA)
where:
Base-Base interactions energy: -151.933
where: short stacking energy: -79.462
Base-Backbone interact. energy: -0.120
local terms energy: -90.269603
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -18.271
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: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -242.056167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.056167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.056167 (E_RNA)
where:
Base-Base interactions energy: -152.625
where: short stacking energy: -76.443
Base-Backbone interact. energy: -0.128
local terms energy: -89.303808
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -11.127
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: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -222.906888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.906888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.906888 (E_RNA)
where:
Base-Base interactions energy: -132.805
where: short stacking energy: -59.037
Base-Backbone interact. energy: -0.487
local terms energy: -89.615490
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -206.742390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.742390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.742390 (E_RNA)
where:
Base-Base interactions energy: -127.813
where: short stacking energy: -64.597
Base-Backbone interact. energy: 1.075
local terms energy: -80.004464
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -10.625
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: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -203.896421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.896421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.896421 (E_RNA)
where:
Base-Base interactions energy: -118.793
where: short stacking energy: -50.886
Base-Backbone interact. energy: -0.480
local terms energy: -84.622564
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -115.194321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.194321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.194321 (E_RNA)
where:
Base-Base interactions energy: -36.754
where: short stacking energy: -36.754
Base-Backbone interact. energy: -0.270
local terms energy: -78.170135
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -356.467124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.467124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.467124 (E_RNA)
where:
Base-Base interactions energy: -238.175
where: short stacking energy: -111.021
Base-Backbone interact. energy: -0.092
local terms energy: -118.200097
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -34.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -311.772050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.772050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.772050 (E_RNA)
where:
Base-Base interactions energy: -197.755
where: short stacking energy: -97.412
Base-Backbone interact. energy: -0.005
local terms energy: -114.012494
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -28.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -313.214918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.214918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.214918 (E_RNA)
where:
Base-Base interactions energy: -201.298
where: short stacking energy: -98.425
Base-Backbone interact. energy: -0.547
local terms energy: -111.369899
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -27.622
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: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -251.403777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.403777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.403777 (E_RNA)
where:
Base-Base interactions energy: -152.624
where: short stacking energy: -70.025
Base-Backbone interact. energy: -0.072
local terms energy: -98.707748
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -12.721
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: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -258.039038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.039038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.039038 (E_RNA)
where:
Base-Base interactions energy: -148.574
where: short stacking energy: -80.638
Base-Backbone interact. energy: -0.100
local terms energy: -109.365180
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -260.819694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.819694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.819694 (E_RNA)
where:
Base-Base interactions energy: -156.544
where: short stacking energy: -74.234
Base-Backbone interact. energy: -0.024
local terms energy: -104.251696
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -245.431085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.431085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.431085 (E_RNA)
where:
Base-Base interactions energy: -145.280
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.291
local terms energy: -99.859231
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -15.203
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: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -219.830044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.830044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.830044 (E_RNA)
where:
Base-Base interactions energy: -128.559
where: short stacking energy: -60.766
Base-Backbone interact. energy: 0.742
local terms energy: -92.013302
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -215.159200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.159200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.159200 (E_RNA)
where:
Base-Base interactions energy: -143.213
where: short stacking energy: -61.574
Base-Backbone interact. energy: -0.548
local terms energy: -71.397843
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -7.322
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: 160
Temperature: 1.350000
Total energy: -107.048802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.048802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.048802 (E_RNA)
where:
Base-Base interactions energy: -32.497
where: short stacking energy: -32.770
Base-Backbone interact. energy: -1.121
local terms energy: -73.430343
where:
bonds (distance) C4'-P energy: -25.897
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -347.157971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.157971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.157971 (E_RNA)
where:
Base-Base interactions energy: -231.882
where: short stacking energy: -106.654
Base-Backbone interact. energy: -0.057
local terms energy: -115.218691
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -314.044519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.044519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.044519 (E_RNA)
where:
Base-Base interactions energy: -201.441
where: short stacking energy: -100.480
Base-Backbone interact. energy: -0.054
local terms energy: -112.549376
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -33.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -326.623253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.623253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.623253 (E_RNA)
where:
Base-Base interactions energy: -219.331
where: short stacking energy: -94.626
Base-Backbone interact. energy: -0.026
local terms energy: -107.266307
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -24.028
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -27.932
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: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -268.637869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.637869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.637869 (E_RNA)
where:
Base-Base interactions energy: -165.987
where: short stacking energy: -82.281
Base-Backbone interact. energy: -0.111
local terms energy: -102.539439
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -27.949
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: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -264.373131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.373131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.373131 (E_RNA)
where:
Base-Base interactions energy: -168.928
where: short stacking energy: -77.891
Base-Backbone interact. energy: 1.306
local terms energy: -96.751081
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -21.882
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: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -239.224071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.224071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.224071 (E_RNA)
where:
Base-Base interactions energy: -143.223
where: short stacking energy: -68.630
Base-Backbone interact. energy: 1.516
local terms energy: -97.517764
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -223.526611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.526611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.526611 (E_RNA)
where:
Base-Base interactions energy: -135.048
where: short stacking energy: -64.671
Base-Backbone interact. energy: -0.166
local terms energy: -88.313485
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -13.705
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: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -225.573207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.573207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.573207 (E_RNA)
where:
Base-Base interactions energy: -131.770
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.121
local terms energy: -93.681982
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -26.232
flat angles P-C4'-P energy: -11.009
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: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -222.532968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.532968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.532968 (E_RNA)
where:
Base-Base interactions energy: -124.861
where: short stacking energy: -59.886
Base-Backbone interact. energy: 1.905
local terms energy: -99.577276
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -14.060
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: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -122.050374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.050374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.050374 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -44.228
Base-Backbone interact. energy: -0.087
local terms energy: -77.736124
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -328.443014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.443014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.443014 (E_RNA)
where:
Base-Base interactions energy: -206.178
where: short stacking energy: -99.942
Base-Backbone interact. energy: -0.762
local terms energy: -121.502849
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -31.403
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: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -338.479120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.479120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.479120 (E_RNA)
where:
Base-Base interactions energy: -231.045
where: short stacking energy: -103.247
Base-Backbone interact. energy: -0.207
local terms energy: -107.227054
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -28.168
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: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -304.843193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.843193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.843193 (E_RNA)
where:
Base-Base interactions energy: -197.934
where: short stacking energy: -95.396
Base-Backbone interact. energy: -0.191
local terms energy: -106.718936
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -25.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -268.027484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.027484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.027484 (E_RNA)
where:
Base-Base interactions energy: -170.297
where: short stacking energy: -84.887
Base-Backbone interact. energy: -0.147
local terms energy: -97.583203
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -24.216
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: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -254.074210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.074210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.074210 (E_RNA)
where:
Base-Base interactions energy: -150.292
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.369
local terms energy: -103.413661
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -233.374610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.374610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.374610 (E_RNA)
where:
Base-Base interactions energy: -147.849
where: short stacking energy: -68.582
Base-Backbone interact. energy: -0.590
local terms energy: -84.935538
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -234.489132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.489132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.489132 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -60.647
Base-Backbone interact. energy: 0.066
local terms energy: -92.568362
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -23.136
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -230.293052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.293052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.293052 (E_RNA)
where:
Base-Base interactions energy: -139.816
where: short stacking energy: -67.894
Base-Backbone interact. energy: -0.146
local terms energy: -90.330712
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -202.124046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.124046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.124046 (E_RNA)
where:
Base-Base interactions energy: -123.892
where: short stacking energy: -64.812
Base-Backbone interact. energy: 0.523
local terms energy: -78.755873
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -99.024315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.024315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.024315 (E_RNA)
where:
Base-Base interactions energy: -26.156
where: short stacking energy: -23.824
Base-Backbone interact. energy: -0.390
local terms energy: -72.478227
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: 4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -333.914245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.914245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.914245 (E_RNA)
where:
Base-Base interactions energy: -215.070
where: short stacking energy: -113.218
Base-Backbone interact. energy: -0.001
local terms energy: -118.843145
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -34.781
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: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -319.867143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.867143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.867143 (E_RNA)
where:
Base-Base interactions energy: -210.295
where: short stacking energy: -98.690
Base-Backbone interact. energy: -0.346
local terms energy: -109.226029
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -336.656651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.656651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.656651 (E_RNA)
where:
Base-Base interactions energy: -218.189
where: short stacking energy: -101.069
Base-Backbone interact. energy: -0.092
local terms energy: -118.375670
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -32.350
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: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -255.103717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.103717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.103717 (E_RNA)
where:
Base-Base interactions energy: -155.322
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.016
local terms energy: -99.766077
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -250.320790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.320790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.320790 (E_RNA)
where:
Base-Base interactions energy: -149.022
where: short stacking energy: -69.023
Base-Backbone interact. energy: 0.652
local terms energy: -101.951451
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -232.948413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.948413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.948413 (E_RNA)
where:
Base-Base interactions energy: -138.585
where: short stacking energy: -71.163
Base-Backbone interact. energy: -1.250
local terms energy: -93.113522
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -246.462839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.462839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.462839 (E_RNA)
where:
Base-Base interactions energy: -151.998
where: short stacking energy: -70.852
Base-Backbone interact. energy: 0.481
local terms energy: -94.946274
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -13.056
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -224.853153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.853153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.853153 (E_RNA)
where:
Base-Base interactions energy: -138.097
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.003
local terms energy: -86.752852
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -212.849791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.849791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.849791 (E_RNA)
where:
Base-Base interactions energy: -142.521
where: short stacking energy: -59.053
Base-Backbone interact. energy: -0.305
local terms energy: -70.024523
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -2.827
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -112.779091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.779091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.779091 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -29.773
Base-Backbone interact. energy: -0.545
local terms energy: -76.533977
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -333.747261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.747261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.747261 (E_RNA)
where:
Base-Base interactions energy: -214.944
where: short stacking energy: -110.718
Base-Backbone interact. energy: -0.174
local terms energy: -118.629386
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -31.753
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: 164
Temperature: 0.950000
Total energy: -329.211252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.211252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.211252 (E_RNA)
where:
Base-Base interactions energy: -224.915
where: short stacking energy: -99.855
Base-Backbone interact. energy: 2.237
local terms energy: -106.532614
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -309.267532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.267532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.267532 (E_RNA)
where:
Base-Base interactions energy: -196.168
where: short stacking energy: -83.984
Base-Backbone interact. energy: -0.142
local terms energy: -112.957704
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -254.581619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.581619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.581619 (E_RNA)
where:
Base-Base interactions energy: -152.201
where: short stacking energy: -74.249
Base-Backbone interact. energy: 1.333
local terms energy: -103.714201
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -256.244034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.244034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.244034 (E_RNA)
where:
Base-Base interactions energy: -144.914
where: short stacking energy: -79.353
Base-Backbone interact. energy: -0.679
local terms energy: -110.651462
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -245.654569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.654569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.654569 (E_RNA)
where:
Base-Base interactions energy: -152.419
where: short stacking energy: -70.600
Base-Backbone interact. energy: -0.547
local terms energy: -92.689138
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -232.092773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.092773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.092773 (E_RNA)
where:
Base-Base interactions energy: -145.307
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.433
local terms energy: -86.352942
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -16.758
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -216.091948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.091948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.091948 (E_RNA)
where:
Base-Base interactions energy: -119.249
where: short stacking energy: -67.790
Base-Backbone interact. energy: 1.036
local terms energy: -97.878985
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -25.386
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -201.658698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.658698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.658698 (E_RNA)
where:
Base-Base interactions energy: -127.182
where: short stacking energy: -56.759
Base-Backbone interact. energy: -0.482
local terms energy: -73.994969
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -5.261
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: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -112.119636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.119636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.119636 (E_RNA)
where:
Base-Base interactions energy: -38.994
where: short stacking energy: -38.515
Base-Backbone interact. energy: -0.176
local terms energy: -72.949135
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -18.102
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: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -330.048732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.048732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.048732 (E_RNA)
where:
Base-Base interactions energy: -210.086
where: short stacking energy: -101.272
Base-Backbone interact. energy: -0.281
local terms energy: -119.681388
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -30.333
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: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -318.053057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.053057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.053057 (E_RNA)
where:
Base-Base interactions energy: -199.285
where: short stacking energy: -103.059
Base-Backbone interact. energy: -0.017
local terms energy: -118.751641
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -27.957
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -32.421
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: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -322.148350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.148350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.148350 (E_RNA)
where:
Base-Base interactions energy: -217.060
where: short stacking energy: -97.178
Base-Backbone interact. energy: -0.544
local terms energy: -104.544271
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -27.282
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: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -261.524778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.524778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.524778 (E_RNA)
where:
Base-Base interactions energy: -154.381
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.290
local terms energy: -106.853438
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -16.608
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: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -254.742261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.742261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.742261 (E_RNA)
where:
Base-Base interactions energy: -159.173
where: short stacking energy: -87.301
Base-Backbone interact. energy: -0.003
local terms energy: -95.566002
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -233.123321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.123321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.123321 (E_RNA)
where:
Base-Base interactions energy: -127.617
where: short stacking energy: -60.799
Base-Backbone interact. energy: -0.125
local terms energy: -105.381226
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -18.368
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: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -251.905617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.905617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.905617 (E_RNA)
where:
Base-Base interactions energy: -161.133
where: short stacking energy: -82.400
Base-Backbone interact. energy: -0.419
local terms energy: -90.353566
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -231.287377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.287377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.287377 (E_RNA)
where:
Base-Base interactions energy: -136.586
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.852
local terms energy: -93.849264
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -20.468
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: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -204.731301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.731301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.731301 (E_RNA)
where:
Base-Base interactions energy: -117.025
where: short stacking energy: -58.407
Base-Backbone interact. energy: -0.169
local terms energy: -87.537059
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -105.736695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.736695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.736695 (E_RNA)
where:
Base-Base interactions energy: -28.974
where: short stacking energy: -29.774
Base-Backbone interact. energy: 0.865
local terms energy: -77.627257
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -14.959
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: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -332.809988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.809988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.809988 (E_RNA)
where:
Base-Base interactions energy: -214.137
where: short stacking energy: -107.699
Base-Backbone interact. energy: -0.211
local terms energy: -118.462850
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -34.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -303.593490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.593490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.593490 (E_RNA)
where:
Base-Base interactions energy: -187.994
where: short stacking energy: -81.823
Base-Backbone interact. energy: -0.072
local terms energy: -115.527617
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -317.486532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.486532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.486532 (E_RNA)
where:
Base-Base interactions energy: -208.186
where: short stacking energy: -89.408
Base-Backbone interact. energy: -0.067
local terms energy: -109.234299
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -275.441383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.441383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.441383 (E_RNA)
where:
Base-Base interactions energy: -168.357
where: short stacking energy: -88.589
Base-Backbone interact. energy: -0.285
local terms energy: -106.798874
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -27.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -268.481637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.481637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.481637 (E_RNA)
where:
Base-Base interactions energy: -162.437
where: short stacking energy: -78.300
Base-Backbone interact. energy: -0.122
local terms energy: -105.922929
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -227.946886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.946886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.946886 (E_RNA)
where:
Base-Base interactions energy: -131.011
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.175
local terms energy: -96.760244
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -26.086
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -15.501
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: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -223.627779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.627779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.627779 (E_RNA)
where:
Base-Base interactions energy: -129.819
where: short stacking energy: -62.761
Base-Backbone interact. energy: -0.160
local terms energy: -93.648944
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -225.094892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.094892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.094892 (E_RNA)
where:
Base-Base interactions energy: -130.120
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.869
local terms energy: -94.106044
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -215.514394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.514394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.514394 (E_RNA)
where:
Base-Base interactions energy: -135.906
where: short stacking energy: -67.861
Base-Backbone interact. energy: 0.569
local terms energy: -80.177516
where:
bonds (distance) C4'-P energy: -6.542
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -16.357
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: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -112.698566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.698566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.698566 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -34.391
Base-Backbone interact. energy: -0.257
local terms energy: -75.425980
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -14.706
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: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -350.565627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.565627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.565627 (E_RNA)
where:
Base-Base interactions energy: -221.659
where: short stacking energy: -115.073
Base-Backbone interact. energy: -0.022
local terms energy: -128.884447
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -36.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -337.090637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.090637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.090637 (E_RNA)
where:
Base-Base interactions energy: -221.685
where: short stacking energy: -99.980
Base-Backbone interact. energy: -0.125
local terms energy: -115.280625
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -31.338
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: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -318.596007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.596007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.596007 (E_RNA)
where:
Base-Base interactions energy: -195.002
where: short stacking energy: -101.384
Base-Backbone interact. energy: -0.012
local terms energy: -123.581565
where:
bonds (distance) C4'-P energy: -27.003
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -30.126
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: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -265.943649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.943649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.943649 (E_RNA)
where:
Base-Base interactions energy: -162.479
where: short stacking energy: -92.601
Base-Backbone interact. energy: -0.675
local terms energy: -102.789753
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -30.409
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: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -266.140324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.140324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.140324 (E_RNA)
where:
Base-Base interactions energy: -161.553
where: short stacking energy: -77.553
Base-Backbone interact. energy: -0.091
local terms energy: -104.496976
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -21.825
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: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -225.224016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.224016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.224016 (E_RNA)
where:
Base-Base interactions energy: -134.795
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.195
local terms energy: -90.234600
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -202.299672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.299672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.299672 (E_RNA)
where:
Base-Base interactions energy: -109.282
where: short stacking energy: -47.934
Base-Backbone interact. energy: -0.454
local terms energy: -92.563881
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -229.153238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.153238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.153238 (E_RNA)
where:
Base-Base interactions energy: -142.122
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.106
local terms energy: -86.924816
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -10.645
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: 167
Temperature: 1.300000
Total energy: -217.985707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.985707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.985707 (E_RNA)
where:
Base-Base interactions energy: -132.180
where: short stacking energy: -58.752
Base-Backbone interact. energy: -2.047
local terms energy: -83.758968
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -9.240
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: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -112.143289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.143289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.143289 (E_RNA)
where:
Base-Base interactions energy: -45.978
where: short stacking energy: -35.176
Base-Backbone interact. energy: 0.549
local terms energy: -66.714463
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -3.443
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: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -344.740537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.740537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.740537 (E_RNA)
where:
Base-Base interactions energy: -214.651
where: short stacking energy: -110.137
Base-Backbone interact. energy: -0.105
local terms energy: -129.983774
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -27.903
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -31.933
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: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -345.363750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.363750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.363750 (E_RNA)
where:
Base-Base interactions energy: -241.584
where: short stacking energy: -105.515
Base-Backbone interact. energy: -0.498
local terms energy: -103.282083
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -31.644
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: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -277.835484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.835484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.835484 (E_RNA)
where:
Base-Base interactions energy: -178.494
where: short stacking energy: -74.502
Base-Backbone interact. energy: 0.187
local terms energy: -99.529158
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -297.649903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.649903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.649903 (E_RNA)
where:
Base-Base interactions energy: -189.964
where: short stacking energy: -91.028
Base-Backbone interact. energy: -0.018
local terms energy: -107.667526
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -27.861
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: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -245.816578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.816578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.816578 (E_RNA)
where:
Base-Base interactions energy: -144.122
where: short stacking energy: -82.407
Base-Backbone interact. energy: -0.197
local terms energy: -101.498048
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -242.390707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.390707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.390707 (E_RNA)
where:
Base-Base interactions energy: -145.127
where: short stacking energy: -72.017
Base-Backbone interact. energy: -0.388
local terms energy: -96.875558
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -238.689249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.689249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.689249 (E_RNA)
where:
Base-Base interactions energy: -145.225
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.147
local terms energy: -93.317178
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -211.117295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.117295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.117295 (E_RNA)
where:
Base-Base interactions energy: -122.367
where: short stacking energy: -62.712
Base-Backbone interact. energy: -0.820
local terms energy: -87.930037
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -205.438384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.438384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.438384 (E_RNA)
where:
Base-Base interactions energy: -119.857
where: short stacking energy: -49.916
Base-Backbone interact. energy: -0.434
local terms energy: -85.146831
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -109.934765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.934765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.934765 (E_RNA)
where:
Base-Base interactions energy: -26.508
where: short stacking energy: -25.979
Base-Backbone interact. energy: -0.194
local terms energy: -83.232794
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -0.181
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: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -336.046392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.046392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.046392 (E_RNA)
where:
Base-Base interactions energy: -207.578
where: short stacking energy: -111.150
Base-Backbone interact. energy: -0.298
local terms energy: -128.170630
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -32.682
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: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -344.249669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.249669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.249669 (E_RNA)
where:
Base-Base interactions energy: -219.306
where: short stacking energy: -100.237
Base-Backbone interact. energy: -0.661
local terms energy: -124.282186
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -30.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -284.840599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.840599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.840599 (E_RNA)
where:
Base-Base interactions energy: -186.391
where: short stacking energy: -78.284
Base-Backbone interact. energy: 1.277
local terms energy: -99.726685
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -309.061049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.061049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.061049 (E_RNA)
where:
Base-Base interactions energy: -201.119
where: short stacking energy: -92.233
Base-Backbone interact. energy: -0.073
local terms energy: -107.869491
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -26.898
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -25.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -247.680172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.680172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.680172 (E_RNA)
where:
Base-Base interactions energy: -148.303
where: short stacking energy: -78.962
Base-Backbone interact. energy: -0.025
local terms energy: -99.352006
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -252.845579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.845579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.845579 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -74.377
Base-Backbone interact. energy: -0.552
local terms energy: -96.237593
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -18.268
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: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -234.970424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.970424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.970424 (E_RNA)
where:
Base-Base interactions energy: -138.893
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.113
local terms energy: -95.964767
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -227.329250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.329250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.329250 (E_RNA)
where:
Base-Base interactions energy: -147.303
where: short stacking energy: -65.732
Base-Backbone interact. energy: -0.220
local terms energy: -79.806303
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -11.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -202.935685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.935685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.935685 (E_RNA)
where:
Base-Base interactions energy: -133.618
where: short stacking energy: -49.403
Base-Backbone interact. energy: -1.056
local terms energy: -68.262353
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -108.862010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.862010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.862010 (E_RNA)
where:
Base-Base interactions energy: -38.710
where: short stacking energy: -38.710
Base-Backbone interact. energy: -0.098
local terms energy: -70.053804
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -362.203416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.203416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.203416 (E_RNA)
where:
Base-Base interactions energy: -243.475
where: short stacking energy: -111.181
Base-Backbone interact. energy: -0.080
local terms energy: -118.649068
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -31.479
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: 170
Temperature: 0.950000
Total energy: -320.782475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.782475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.782475 (E_RNA)
where:
Base-Base interactions energy: -199.275
where: short stacking energy: -102.766
Base-Backbone interact. energy: -0.135
local terms energy: -121.372693
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -30.909
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: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -287.356186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.356186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.356186 (E_RNA)
where:
Base-Base interactions energy: -179.630
where: short stacking energy: -91.603
Base-Backbone interact. energy: -1.176
local terms energy: -106.550538
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -25.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -289.443720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.443720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.443720 (E_RNA)
where:
Base-Base interactions energy: -188.539
where: short stacking energy: -86.276
Base-Backbone interact. energy: -0.200
local terms energy: -100.704690
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -19.198
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: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -247.119907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.119907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.119907 (E_RNA)
where:
Base-Base interactions energy: -142.434
where: short stacking energy: -73.531
Base-Backbone interact. energy: 0.362
local terms energy: -105.047535
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -235.286962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.286962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.286962 (E_RNA)
where:
Base-Base interactions energy: -144.287
where: short stacking energy: -75.494
Base-Backbone interact. energy: -0.141
local terms energy: -90.858635
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -14.250
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: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -224.296724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.296724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.296724 (E_RNA)
where:
Base-Base interactions energy: -135.711
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.113
local terms energy: -88.473249
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -226.432754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.432754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.432754 (E_RNA)
where:
Base-Base interactions energy: -134.864
where: short stacking energy: -73.074
Base-Backbone interact. energy: -0.051
local terms energy: -91.518104
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -12.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -210.145613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.145613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.145613 (E_RNA)
where:
Base-Base interactions energy: -120.755
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.137
local terms energy: -89.253286
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -13.641
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: 170
Temperature: 1.350000
Total energy: -105.806208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.806208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.806208 (E_RNA)
where:
Base-Base interactions energy: -42.623
where: short stacking energy: -28.352
Base-Backbone interact. energy: -1.382
local terms energy: -61.801612
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: 3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -361.157789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.157789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.157789 (E_RNA)
where:
Base-Base interactions energy: -231.642
where: short stacking energy: -104.052
Base-Backbone interact. energy: -0.463
local terms energy: -129.053414
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -34.550
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: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -313.038355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.038355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.038355 (E_RNA)
where:
Base-Base interactions energy: -208.081
where: short stacking energy: -98.418
Base-Backbone interact. energy: -0.140
local terms energy: -104.816893
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -27.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -284.275824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.275824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.275824 (E_RNA)
where:
Base-Base interactions energy: -171.703
where: short stacking energy: -79.004
Base-Backbone interact. energy: -0.265
local terms energy: -112.307688
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -26.486
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: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -291.247785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.247785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.247785 (E_RNA)
where:
Base-Base interactions energy: -192.192
where: short stacking energy: -90.367
Base-Backbone interact. energy: 0.471
local terms energy: -99.526607
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -16.556
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: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -253.012802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.012802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.012802 (E_RNA)
where:
Base-Base interactions energy: -148.355
where: short stacking energy: -78.014
Base-Backbone interact. energy: -0.196
local terms energy: -104.461883
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -16.206
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: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -241.206226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.206226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.206226 (E_RNA)
where:
Base-Base interactions energy: -142.252
where: short stacking energy: -72.215
Base-Backbone interact. energy: -0.085
local terms energy: -98.868669
where:
bonds (distance) C4'-P energy: -26.870
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -9.769
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: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -218.007652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.007652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.007652 (E_RNA)
where:
Base-Base interactions energy: -130.255
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.180
local terms energy: -87.572799
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -13.783
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: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -239.540411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.540411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.540411 (E_RNA)
where:
Base-Base interactions energy: -151.242
where: short stacking energy: -69.796
Base-Backbone interact. energy: 1.094
local terms energy: -89.392789
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -200.916533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.916533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.916533 (E_RNA)
where:
Base-Base interactions energy: -111.078
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.311
local terms energy: -89.527778
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -9.123
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: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -109.381590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.381590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.381590 (E_RNA)
where:
Base-Base interactions energy: -48.317
where: short stacking energy: -30.386
Base-Backbone interact. energy: 0.854
local terms energy: -61.918847
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: 3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -359.694741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.694741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.694741 (E_RNA)
where:
Base-Base interactions energy: -245.832
where: short stacking energy: -113.375
Base-Backbone interact. energy: -0.660
local terms energy: -113.203117
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -35.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -313.385579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.385579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.385579 (E_RNA)
where:
Base-Base interactions energy: -208.412
where: short stacking energy: -101.004
Base-Backbone interact. energy: -0.670
local terms energy: -104.303347
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -296.497398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.497398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.497398 (E_RNA)
where:
Base-Base interactions energy: -194.979
where: short stacking energy: -96.494
Base-Backbone interact. energy: -0.072
local terms energy: -101.446456
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -269.739175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.739175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.739175 (E_RNA)
where:
Base-Base interactions energy: -168.269
where: short stacking energy: -80.816
Base-Backbone interact. energy: 2.272
local terms energy: -103.741962
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -252.088679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.088679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.088679 (E_RNA)
where:
Base-Base interactions energy: -156.140
where: short stacking energy: -80.890
Base-Backbone interact. energy: -0.088
local terms energy: -95.861072
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -233.892067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.892067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.892067 (E_RNA)
where:
Base-Base interactions energy: -139.492
where: short stacking energy: -82.384
Base-Backbone interact. energy: -0.139
local terms energy: -94.261466
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -16.275
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: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -247.543221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.543221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.543221 (E_RNA)
where:
Base-Base interactions energy: -150.760
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.267
local terms energy: -96.516072
where:
bonds (distance) C4'-P energy: -25.282
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -16.014
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: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -205.657449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.657449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.657449 (E_RNA)
where:
Base-Base interactions energy: -121.418
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.077
local terms energy: -84.162552
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -10.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -139.124473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.124473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.124473 (E_RNA)
where:
Base-Base interactions energy: -68.679
where: short stacking energy: -36.803
Base-Backbone interact. energy: -0.209
local terms energy: -70.236512
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -102.068200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.068200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.068200 (E_RNA)
where:
Base-Base interactions energy: -33.954
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.514
local terms energy: -67.600090
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -359.421896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.421896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.421896 (E_RNA)
where:
Base-Base interactions energy: -243.835
where: short stacking energy: -109.855
Base-Backbone interact. energy: -0.015
local terms energy: -115.572582
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -32.141
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -328.531084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.531084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.531084 (E_RNA)
where:
Base-Base interactions energy: -207.068
where: short stacking energy: -94.824
Base-Backbone interact. energy: 0.016
local terms energy: -121.479595
where:
bonds (distance) C4'-P energy: -23.962
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -28.323
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: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -305.734587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.734587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.734587 (E_RNA)
where:
Base-Base interactions energy: -196.953
where: short stacking energy: -92.872
Base-Backbone interact. energy: -0.470
local terms energy: -108.311066
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -250.496621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.496621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.496621 (E_RNA)
where:
Base-Base interactions energy: -149.362
where: short stacking energy: -81.685
Base-Backbone interact. energy: -0.381
local terms energy: -100.753176
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -13.293
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: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -263.658147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.658147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.658147 (E_RNA)
where:
Base-Base interactions energy: -168.395
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.868
local terms energy: -94.395310
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -16.978
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: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -246.874805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.874805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.874805 (E_RNA)
where:
Base-Base interactions energy: -150.516
where: short stacking energy: -72.436
Base-Backbone interact. energy: -0.198
local terms energy: -96.160650
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -25.217
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -216.109382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.109382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.109382 (E_RNA)
where:
Base-Base interactions energy: -119.206
where: short stacking energy: -65.437
Base-Backbone interact. energy: -0.925
local terms energy: -95.978285
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -20.919
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: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -161.032632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.032632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.032632 (E_RNA)
where:
Base-Base interactions energy: -83.140
where: short stacking energy: -34.312
Base-Backbone interact. energy: 0.542
local terms energy: -78.434759
where:
bonds (distance) C4'-P energy: -22.390
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: 2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -123.016494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.016494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.016494 (E_RNA)
where:
Base-Base interactions energy: -43.139
where: short stacking energy: -42.468
Base-Backbone interact. energy: -0.203
local terms energy: -79.673974
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -23.416
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -108.949272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.949272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.949272 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -28.208
Base-Backbone interact. energy: -0.074
local terms energy: -56.840484
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: 5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -366.114267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.114267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.114267 (E_RNA)
where:
Base-Base interactions energy: -242.009
where: short stacking energy: -105.786
Base-Backbone interact. energy: -0.481
local terms energy: -123.624589
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -27.949
flat angles C4'-P-C4' energy: -28.158
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -33.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -311.981166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.981166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.981166 (E_RNA)
where:
Base-Base interactions energy: -194.342
where: short stacking energy: -90.754
Base-Backbone interact. energy: 1.978
local terms energy: -119.617522
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -29.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -317.023661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.023661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.023661 (E_RNA)
where:
Base-Base interactions energy: -206.230
where: short stacking energy: -99.150
Base-Backbone interact. energy: -0.138
local terms energy: -110.655711
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -259.107307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.107307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.107307 (E_RNA)
where:
Base-Base interactions energy: -171.327
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.485
local terms energy: -87.295121
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -258.505709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.505709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.505709 (E_RNA)
where:
Base-Base interactions energy: -160.398
where: short stacking energy: -76.745
Base-Backbone interact. energy: 0.508
local terms energy: -98.615608
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -15.824
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: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -253.630699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.630699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.630699 (E_RNA)
where:
Base-Base interactions energy: -159.834
where: short stacking energy: -76.826
Base-Backbone interact. energy: -0.281
local terms energy: -93.516075
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -220.575987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.575987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.575987 (E_RNA)
where:
Base-Base interactions energy: -141.495
where: short stacking energy: -61.018
Base-Backbone interact. energy: 4.592
local terms energy: -83.672975
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -207.030321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.030321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.030321 (E_RNA)
where:
Base-Base interactions energy: -116.368
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.153
local terms energy: -90.509931
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -113.214643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.214643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.214643 (E_RNA)
where:
Base-Base interactions energy: -40.184
where: short stacking energy: -34.383
Base-Backbone interact. energy: 0.273
local terms energy: -73.303112
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -26.766
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -0.059
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: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -123.168349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.168349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.168349 (E_RNA)
where:
Base-Base interactions energy: -48.740
where: short stacking energy: -44.364
Base-Backbone interact. energy: -0.396
local terms energy: -74.032828
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -357.297569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.297569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.297569 (E_RNA)
where:
Base-Base interactions energy: -233.945
where: short stacking energy: -102.509
Base-Backbone interact. energy: -0.240
local terms energy: -123.113328
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -35.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -344.104356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.104356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.104356 (E_RNA)
where:
Base-Base interactions energy: -222.653
where: short stacking energy: -109.497
Base-Backbone interact. energy: -0.122
local terms energy: -121.329107
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -26.608
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -30.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -298.910619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.910619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.910619 (E_RNA)
where:
Base-Base interactions energy: -190.376
where: short stacking energy: -79.323
Base-Backbone interact. energy: 0.749
local terms energy: -109.283457
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -23.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -268.415732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.415732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.415732 (E_RNA)
where:
Base-Base interactions energy: -169.235
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.881
local terms energy: -98.299465
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -266.771028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.771028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.771028 (E_RNA)
where:
Base-Base interactions energy: -158.802
where: short stacking energy: -84.426
Base-Backbone interact. energy: -0.116
local terms energy: -107.852443
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -241.244849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.244849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.244849 (E_RNA)
where:
Base-Base interactions energy: -154.256
where: short stacking energy: -68.897
Base-Backbone interact. energy: -0.466
local terms energy: -86.522859
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -244.127683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.127683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.127683 (E_RNA)
where:
Base-Base interactions energy: -156.240
where: short stacking energy: -74.714
Base-Backbone interact. energy: -0.124
local terms energy: -87.763491
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -197.991042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.991042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.991042 (E_RNA)
where:
Base-Base interactions energy: -108.123
where: short stacking energy: -53.009
Base-Backbone interact. energy: -0.975
local terms energy: -88.893657
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -13.148
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: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -121.075619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.075619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.075619 (E_RNA)
where:
Base-Base interactions energy: -47.646
where: short stacking energy: -38.649
Base-Backbone interact. energy: -1.550
local terms energy: -71.879265
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -143.668410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.668410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.668410 (E_RNA)
where:
Base-Base interactions energy: -72.846
where: short stacking energy: -32.017
Base-Backbone interact. energy: -0.587
local terms energy: -70.235445
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -362.010144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.010144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.010144 (E_RNA)
where:
Base-Base interactions energy: -238.507
where: short stacking energy: -106.238
Base-Backbone interact. energy: 1.070
local terms energy: -124.572587
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -36.021
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: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -310.768420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.768420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.768420 (E_RNA)
where:
Base-Base interactions energy: -208.337
where: short stacking energy: -96.091
Base-Backbone interact. energy: -0.140
local terms energy: -102.290906
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -20.887
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: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -321.039680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.039680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.039680 (E_RNA)
where:
Base-Base interactions energy: -202.092
where: short stacking energy: -96.879
Base-Backbone interact. energy: -0.021
local terms energy: -118.926432
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -31.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -268.480616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.480616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.480616 (E_RNA)
where:
Base-Base interactions energy: -166.111
where: short stacking energy: -87.311
Base-Backbone interact. energy: -0.005
local terms energy: -102.364622
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -25.794
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -17.259
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: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -260.599675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.599675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.599675 (E_RNA)
where:
Base-Base interactions energy: -160.319
where: short stacking energy: -88.240
Base-Backbone interact. energy: -0.080
local terms energy: -100.200695
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -251.999908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.999908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.999908 (E_RNA)
where:
Base-Base interactions energy: -150.391
where: short stacking energy: -68.332
Base-Backbone interact. energy: -0.530
local terms energy: -101.078625
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -250.239597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.239597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.239597 (E_RNA)
where:
Base-Base interactions energy: -147.942
where: short stacking energy: -66.391
Base-Backbone interact. energy: 1.111
local terms energy: -103.408307
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -25.210
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -194.249837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.249837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.249837 (E_RNA)
where:
Base-Base interactions energy: -90.070
where: short stacking energy: -57.435
Base-Backbone interact. energy: -0.126
local terms energy: -104.053892
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -21.011
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: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -109.744325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.744325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.744325 (E_RNA)
where:
Base-Base interactions energy: -46.259
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.156
local terms energy: -63.328902
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -2.547
tors. eta vs tors. theta energy: -1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -103.056073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.056073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.056073 (E_RNA)
where:
Base-Base interactions energy: -34.511
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.710
local terms energy: -67.834985
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: 0.544
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: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -347.067420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.067420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.067420 (E_RNA)
where:
Base-Base interactions energy: -229.450
where: short stacking energy: -101.261
Base-Backbone interact. energy: -0.474
local terms energy: -117.143354
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -26.995
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -33.964
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: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -317.355285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.355285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.355285 (E_RNA)
where:
Base-Base interactions energy: -209.977
where: short stacking energy: -106.950
Base-Backbone interact. energy: 0.831
local terms energy: -108.208645
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -27.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -307.846622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.846622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.846622 (E_RNA)
where:
Base-Base interactions energy: -199.901
where: short stacking energy: -87.267
Base-Backbone interact. energy: -0.108
local terms energy: -107.837839
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -24.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -269.396567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.396567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.396567 (E_RNA)
where:
Base-Base interactions energy: -163.804
where: short stacking energy: -79.496
Base-Backbone interact. energy: -0.257
local terms energy: -105.335253
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -252.526402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.526402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.526402 (E_RNA)
where:
Base-Base interactions energy: -143.271
where: short stacking energy: -74.657
Base-Backbone interact. energy: 0.236
local terms energy: -109.491698
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -23.805
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: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -239.944948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.944948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.944948 (E_RNA)
where:
Base-Base interactions energy: -135.379
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.122
local terms energy: -104.443801
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -26.671
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -233.135047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.135047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.135047 (E_RNA)
where:
Base-Base interactions energy: -146.296
where: short stacking energy: -74.805
Base-Backbone interact. energy: -0.831
local terms energy: -86.007303
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -15.178
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: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -196.129698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.129698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.129698 (E_RNA)
where:
Base-Base interactions energy: -119.735
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.238
local terms energy: -76.157241
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -99.583771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.583771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.583771 (E_RNA)
where:
Base-Base interactions energy: -25.533
where: short stacking energy: -20.524
Base-Backbone interact. energy: 3.077
local terms energy: -77.127657
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: 3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -106.629606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.629606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.629606 (E_RNA)
where:
Base-Base interactions energy: -35.376
where: short stacking energy: -33.942
Base-Backbone interact. energy: 0.305
local terms energy: -71.558486
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -365.561162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.561162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.561162 (E_RNA)
where:
Base-Base interactions energy: -238.524
where: short stacking energy: -108.698
Base-Backbone interact. energy: -0.019
local terms energy: -127.018681
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -33.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -324.952564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.952564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.952564 (E_RNA)
where:
Base-Base interactions energy: -206.655
where: short stacking energy: -104.258
Base-Backbone interact. energy: -0.001
local terms energy: -118.295834
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -33.897
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: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -288.000427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.000427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.000427 (E_RNA)
where:
Base-Base interactions energy: -169.626
where: short stacking energy: -92.997
Base-Backbone interact. energy: 0.887
local terms energy: -119.262345
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -289.347279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.347279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.347279 (E_RNA)
where:
Base-Base interactions energy: -182.630
where: short stacking energy: -88.082
Base-Backbone interact. energy: -0.064
local terms energy: -106.653394
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -24.752
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: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -261.275886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.275886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.275886 (E_RNA)
where:
Base-Base interactions energy: -163.605
where: short stacking energy: -78.991
Base-Backbone interact. energy: -0.136
local terms energy: -97.535624
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -247.105161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.105161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.105161 (E_RNA)
where:
Base-Base interactions energy: -146.722
where: short stacking energy: -75.821
Base-Backbone interact. energy: -0.037
local terms energy: -100.345677
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -17.411
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: 178
Temperature: 1.200000
Total energy: -218.333232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.333232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.333232 (E_RNA)
where:
Base-Base interactions energy: -126.771
where: short stacking energy: -62.177
Base-Backbone interact. energy: 0.935
local terms energy: -92.496421
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -16.410
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: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -202.707435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.707435 (E_RNA)
where:
Base-Base interactions energy: -125.330
where: short stacking energy: -51.182
Base-Backbone interact. energy: -0.211
local terms energy: -77.166315
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -112.692979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.692979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.692979 (E_RNA)
where:
Base-Base interactions energy: -36.929
where: short stacking energy: -35.434
Base-Backbone interact. energy: -0.380
local terms energy: -75.383670
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: -0.779
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: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -112.988239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.988239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.988239 (E_RNA)
where:
Base-Base interactions energy: -45.445
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.870
local terms energy: -66.672998
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: 3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -361.719244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.719244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.719244 (E_RNA)
where:
Base-Base interactions energy: -237.410
where: short stacking energy: -110.047
Base-Backbone interact. energy: 0.890
local terms energy: -125.200158
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -323.802641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.802641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.802641 (E_RNA)
where:
Base-Base interactions energy: -210.301
where: short stacking energy: -102.788
Base-Backbone interact. energy: -0.009
local terms energy: -113.492358
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -33.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -274.188285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.188285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.188285 (E_RNA)
where:
Base-Base interactions energy: -165.672
where: short stacking energy: -79.173
Base-Backbone interact. energy: -0.052
local terms energy: -108.464529
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -281.303214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.303214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.303214 (E_RNA)
where:
Base-Base interactions energy: -169.403
where: short stacking energy: -92.412
Base-Backbone interact. energy: -0.028
local terms energy: -111.872360
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -28.649
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: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -263.861477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.861477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.861477 (E_RNA)
where:
Base-Base interactions energy: -165.882
where: short stacking energy: -90.938
Base-Backbone interact. energy: -0.031
local terms energy: -97.948321
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -23.249
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: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -247.917757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.917757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.917757 (E_RNA)
where:
Base-Base interactions energy: -149.069
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.139
local terms energy: -98.709797
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -16.794
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: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -255.717216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.717216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.717216 (E_RNA)
where:
Base-Base interactions energy: -146.137
where: short stacking energy: -75.635
Base-Backbone interact. energy: -0.019
local terms energy: -109.561857
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -17.058
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: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -184.293993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.293993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.293993 (E_RNA)
where:
Base-Base interactions energy: -105.964
where: short stacking energy: -49.954
Base-Backbone interact. energy: -0.110
local terms energy: -78.219440
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -9.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -115.231747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.231747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.231747 (E_RNA)
where:
Base-Base interactions energy: -44.414
where: short stacking energy: -44.414
Base-Backbone interact. energy: 0.276
local terms energy: -71.093604
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -3.922
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: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -114.843288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.843288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.843288 (E_RNA)
where:
Base-Base interactions energy: -48.136
where: short stacking energy: -46.123
Base-Backbone interact. energy: 0.248
local terms energy: -66.955921
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -346.627591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.627591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.627591 (E_RNA)
where:
Base-Base interactions energy: -230.054
where: short stacking energy: -104.148
Base-Backbone interact. energy: -0.397
local terms energy: -116.176483
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -31.304
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: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -327.259756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.259756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.259756 (E_RNA)
where:
Base-Base interactions energy: -209.065
where: short stacking energy: -100.755
Base-Backbone interact. energy: -1.001
local terms energy: -117.194275
where:
bonds (distance) C4'-P energy: -26.025
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -29.497
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: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -282.234033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.234033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.234033 (E_RNA)
where:
Base-Base interactions energy: -174.472
where: short stacking energy: -90.622
Base-Backbone interact. energy: -0.085
local terms energy: -107.677332
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -264.056718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.056718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.056718 (E_RNA)
where:
Base-Base interactions energy: -164.065
where: short stacking energy: -74.607
Base-Backbone interact. energy: -1.064
local terms energy: -98.927737
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -264.880019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.880019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.880019 (E_RNA)
where:
Base-Base interactions energy: -180.431
where: short stacking energy: -89.093
Base-Backbone interact. energy: -0.041
local terms energy: -84.408195
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -12.315
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: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -264.897648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.897648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.897648 (E_RNA)
where:
Base-Base interactions energy: -177.869
where: short stacking energy: -71.604
Base-Backbone interact. energy: -0.185
local terms energy: -86.844074
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -10.726
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: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -246.769986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.769986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.769986 (E_RNA)
where:
Base-Base interactions energy: -150.449
where: short stacking energy: -70.674
Base-Backbone interact. energy: -0.499
local terms energy: -95.822589
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -227.173753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.173753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.173753 (E_RNA)
where:
Base-Base interactions energy: -142.885
where: short stacking energy: -64.947
Base-Backbone interact. energy: -0.111
local terms energy: -84.177876
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -106.565915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.565915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.565915 (E_RNA)
where:
Base-Base interactions energy: -36.722
where: short stacking energy: -36.722
Base-Backbone interact. energy: -0.306
local terms energy: -69.537889
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -138.670131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.670131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.670131 (E_RNA)
where:
Base-Base interactions energy: -73.581
where: short stacking energy: -33.291
Base-Backbone interact. energy: -0.641
local terms energy: -64.447873
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -2.232
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: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -343.506987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.506987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.506987 (E_RNA)
where:
Base-Base interactions energy: -223.975
where: short stacking energy: -110.088
Base-Backbone interact. energy: -0.763
local terms energy: -118.769081
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -32.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -317.839764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.839764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.839764 (E_RNA)
where:
Base-Base interactions energy: -195.716
where: short stacking energy: -95.084
Base-Backbone interact. energy: -0.012
local terms energy: -122.111347
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -30.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -320.960667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.960667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.960667 (E_RNA)
where:
Base-Base interactions energy: -209.808
where: short stacking energy: -95.732
Base-Backbone interact. energy: -0.484
local terms energy: -110.668339
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -26.995
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -26.247
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: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -269.616327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.616327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.616327 (E_RNA)
where:
Base-Base interactions energy: -161.055
where: short stacking energy: -75.624
Base-Backbone interact. energy: -0.666
local terms energy: -107.895626
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -252.370616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.370616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.370616 (E_RNA)
where:
Base-Base interactions energy: -148.942
where: short stacking energy: -76.156
Base-Backbone interact. energy: 0.216
local terms energy: -103.644467
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -13.441
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: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -253.228845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.228845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.228845 (E_RNA)
where:
Base-Base interactions energy: -150.695
where: short stacking energy: -87.927
Base-Backbone interact. energy: -0.155
local terms energy: -102.379468
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -24.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -238.915220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.915220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.915220 (E_RNA)
where:
Base-Base interactions energy: -147.895
where: short stacking energy: -73.110
Base-Backbone interact. energy: 0.133
local terms energy: -91.153558
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -241.180679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.180679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.180679 (E_RNA)
where:
Base-Base interactions energy: -143.235
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.266
local terms energy: -97.680189
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -110.364028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.364028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.364028 (E_RNA)
where:
Base-Base interactions energy: -31.571
where: short stacking energy: -28.806
Base-Backbone interact. energy: -0.380
local terms energy: -78.412585
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -26.371
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -149.079528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.079528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.079528 (E_RNA)
where:
Base-Base interactions energy: -73.781
where: short stacking energy: -33.940
Base-Backbone interact. energy: 0.998
local terms energy: -76.296216
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -364.415914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.415914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.415914 (E_RNA)
where:
Base-Base interactions energy: -239.849
where: short stacking energy: -99.319
Base-Backbone interact. energy: -0.380
local terms energy: -124.186507
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -33.692
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: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -323.544049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.544049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.544049 (E_RNA)
where:
Base-Base interactions energy: -201.681
where: short stacking energy: -101.013
Base-Backbone interact. energy: -0.069
local terms energy: -121.793657
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -27.583
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: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -316.318784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.318784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.318784 (E_RNA)
where:
Base-Base interactions energy: -212.298
where: short stacking energy: -100.787
Base-Backbone interact. energy: -0.295
local terms energy: -103.726284
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -22.116
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: 182
Temperature: 1.050000
Total energy: -258.794716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.794716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.794716 (E_RNA)
where:
Base-Base interactions energy: -152.941
where: short stacking energy: -79.449
Base-Backbone interact. energy: 0.422
local terms energy: -106.275241
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -258.711101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.711101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.711101 (E_RNA)
where:
Base-Base interactions energy: -157.376
where: short stacking energy: -82.754
Base-Backbone interact. energy: -0.029
local terms energy: -101.306430
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -12.607
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: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -249.317128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.317128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.317128 (E_RNA)
where:
Base-Base interactions energy: -162.257
where: short stacking energy: -73.325
Base-Backbone interact. energy: 0.353
local terms energy: -87.412380
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -241.346156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.346156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.346156 (E_RNA)
where:
Base-Base interactions energy: -153.901
where: short stacking energy: -69.580
Base-Backbone interact. energy: -0.066
local terms energy: -87.379206
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -207.011423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.011423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.011423 (E_RNA)
where:
Base-Base interactions energy: -110.061
where: short stacking energy: -55.271
Base-Backbone interact. energy: 0.128
local terms energy: -97.078275
where:
bonds (distance) C4'-P energy: -24.302
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -195.554277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.554277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.554277 (E_RNA)
where:
Base-Base interactions energy: -106.528
where: short stacking energy: -58.428
Base-Backbone interact. energy: -0.378
local terms energy: -88.648238
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -15.121
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: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -108.917669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.917669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.917669 (E_RNA)
where:
Base-Base interactions energy: -38.399
where: short stacking energy: -26.317
Base-Backbone interact. energy: -0.917
local terms energy: -69.601202
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: 5.915
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: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -368.995232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.995232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.995232 (E_RNA)
where:
Base-Base interactions energy: -249.975
where: short stacking energy: -114.511
Base-Backbone interact. energy: -0.137
local terms energy: -118.883583
where:
bonds (distance) C4'-P energy: -26.741
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -35.201
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: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -321.027884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.027884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.027884 (E_RNA)
where:
Base-Base interactions energy: -208.645
where: short stacking energy: -112.072
Base-Backbone interact. energy: -0.263
local terms energy: -112.119559
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -30.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -307.227322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.227322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.227322 (E_RNA)
where:
Base-Base interactions energy: -193.911
where: short stacking energy: -92.347
Base-Backbone interact. energy: -0.024
local terms energy: -113.292174
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -257.449258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.449258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.449258 (E_RNA)
where:
Base-Base interactions energy: -149.611
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.499
local terms energy: -107.338997
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -261.657635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.657635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.657635 (E_RNA)
where:
Base-Base interactions energy: -152.705
where: short stacking energy: -77.591
Base-Backbone interact. energy: -0.049
local terms energy: -108.903298
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -18.538
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: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -233.072206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.072206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.072206 (E_RNA)
where:
Base-Base interactions energy: -141.896
where: short stacking energy: -54.358
Base-Backbone interact. energy: -0.234
local terms energy: -90.941882
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -211.515194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.515194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.515194 (E_RNA)
where:
Base-Base interactions energy: -125.460
where: short stacking energy: -63.494
Base-Backbone interact. energy: -0.188
local terms energy: -85.868023
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -229.304360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.304360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.304360 (E_RNA)
where:
Base-Base interactions energy: -142.632
where: short stacking energy: -73.993
Base-Backbone interact. energy: -0.746
local terms energy: -85.926022
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -4.025
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: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -207.772739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.772739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.772739 (E_RNA)
where:
Base-Base interactions energy: -122.229
where: short stacking energy: -68.030
Base-Backbone interact. energy: -0.195
local terms energy: -85.348352
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -112.035648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.035648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.035648 (E_RNA)
where:
Base-Base interactions energy: -41.278
where: short stacking energy: -30.409
Base-Backbone interact. energy: -0.356
local terms energy: -70.401551
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -375.961280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.961280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.961280 (E_RNA)
where:
Base-Base interactions energy: -249.777
where: short stacking energy: -114.077
Base-Backbone interact. energy: -0.072
local terms energy: -126.112036
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -30.122
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -37.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -317.157225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.157225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.157225 (E_RNA)
where:
Base-Base interactions energy: -202.396
where: short stacking energy: -94.670
Base-Backbone interact. energy: -0.071
local terms energy: -114.690507
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -28.411
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: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -298.524554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.524554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.524554 (E_RNA)
where:
Base-Base interactions energy: -191.476
where: short stacking energy: -88.998
Base-Backbone interact. energy: -0.062
local terms energy: -106.987532
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -25.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -276.307034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.307034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.307034 (E_RNA)
where:
Base-Base interactions energy: -162.702
where: short stacking energy: -91.257
Base-Backbone interact. energy: -0.202
local terms energy: -113.402259
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -26.575
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: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -270.930902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.930902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.930902 (E_RNA)
where:
Base-Base interactions energy: -170.021
where: short stacking energy: -81.302
Base-Backbone interact. energy: -0.142
local terms energy: -100.767247
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -22.031
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: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -227.143440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.143440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.143440 (E_RNA)
where:
Base-Base interactions energy: -135.872
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.143
local terms energy: -91.127914
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -234.348237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.348237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.348237 (E_RNA)
where:
Base-Base interactions energy: -144.367
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.125
local terms energy: -89.856090
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -218.345489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.345489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.345489 (E_RNA)
where:
Base-Base interactions energy: -121.933
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.046
local terms energy: -96.366376
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -205.932140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.932140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.932140 (E_RNA)
where:
Base-Base interactions energy: -122.407
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.262
local terms energy: -83.263155
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -12.585
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: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -113.055852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.055852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.055852 (E_RNA)
where:
Base-Base interactions energy: -52.433
where: short stacking energy: -42.282
Base-Backbone interact. energy: 0.757
local terms energy: -61.380313
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -369.015054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.015054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.015054 (E_RNA)
where:
Base-Base interactions energy: -246.502
where: short stacking energy: -104.724
Base-Backbone interact. energy: -0.225
local terms energy: -122.288126
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -33.598
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: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -313.085055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.085055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.085055 (E_RNA)
where:
Base-Base interactions energy: -200.187
where: short stacking energy: -99.358
Base-Backbone interact. energy: -0.053
local terms energy: -112.844336
where:
bonds (distance) C4'-P energy: -22.501
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -27.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -316.513793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.513793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.513793 (E_RNA)
where:
Base-Base interactions energy: -205.315
where: short stacking energy: -98.069
Base-Backbone interact. energy: -0.154
local terms energy: -111.044878
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -25.217
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: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -277.869253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.869253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.869253 (E_RNA)
where:
Base-Base interactions energy: -166.681
where: short stacking energy: -87.958
Base-Backbone interact. energy: -0.000
local terms energy: -111.187285
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -25.521
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: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -239.686841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.686841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.686841 (E_RNA)
where:
Base-Base interactions energy: -140.635
where: short stacking energy: -68.041
Base-Backbone interact. energy: -0.341
local terms energy: -98.710964
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -241.887748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.887748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.887748 (E_RNA)
where:
Base-Base interactions energy: -145.736
where: short stacking energy: -77.580
Base-Backbone interact. energy: -0.117
local terms energy: -96.034363
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -233.547082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.547082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.547082 (E_RNA)
where:
Base-Base interactions energy: -137.937
where: short stacking energy: -56.267
Base-Backbone interact. energy: -0.087
local terms energy: -95.522286
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -230.089500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.089500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.089500 (E_RNA)
where:
Base-Base interactions energy: -138.474
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.112
local terms energy: -91.502589
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -13.928
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: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -216.511350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.511350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.511350 (E_RNA)
where:
Base-Base interactions energy: -123.435
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.317
local terms energy: -92.759171
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -113.271653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.271653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.271653 (E_RNA)
where:
Base-Base interactions energy: -32.692
where: short stacking energy: -26.166
Base-Backbone interact. energy: -0.368
local terms energy: -80.211928
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -370.004673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.004673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.004673 (E_RNA)
where:
Base-Base interactions energy: -241.786
where: short stacking energy: -111.017
Base-Backbone interact. energy: -0.283
local terms energy: -127.935464
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -34.711
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: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -302.340181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.340181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.340181 (E_RNA)
where:
Base-Base interactions energy: -197.295
where: short stacking energy: -95.226
Base-Backbone interact. energy: -0.028
local terms energy: -105.017129
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -27.051
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: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -303.851771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.851771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.851771 (E_RNA)
where:
Base-Base interactions energy: -197.241
where: short stacking energy: -100.099
Base-Backbone interact. energy: -0.156
local terms energy: -106.454585
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -28.629
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: 186
Temperature: 1.050000
Total energy: -284.373386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.373386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.373386 (E_RNA)
where:
Base-Base interactions energy: -175.855
where: short stacking energy: -93.979
Base-Backbone interact. energy: -0.057
local terms energy: -108.461365
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -25.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -237.092395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.092395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.092395 (E_RNA)
where:
Base-Base interactions energy: -143.604
where: short stacking energy: -73.838
Base-Backbone interact. energy: -0.061
local terms energy: -93.427702
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -237.346048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.346048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.346048 (E_RNA)
where:
Base-Base interactions energy: -136.678
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.098
local terms energy: -100.569537
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -15.062
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: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -233.470270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.470270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.470270 (E_RNA)
where:
Base-Base interactions energy: -136.006
where: short stacking energy: -75.657
Base-Backbone interact. energy: -0.586
local terms energy: -96.878702
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -21.806
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: 2
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -223.138991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.138991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.138991 (E_RNA)
where:
Base-Base interactions energy: -134.259
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.471
local terms energy: -88.409392
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -13.957
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: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -217.499391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.499391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.499391 (E_RNA)
where:
Base-Base interactions energy: -134.209
where: short stacking energy: -53.907
Base-Backbone interact. energy: 2.177
local terms energy: -85.467302
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -121.137533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.137533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.137533 (E_RNA)
where:
Base-Base interactions energy: -45.540
where: short stacking energy: -45.540
Base-Backbone interact. energy: -0.258
local terms energy: -75.339128
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -365.252433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.252433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.252433 (E_RNA)
where:
Base-Base interactions energy: -245.352
where: short stacking energy: -110.920
Base-Backbone interact. energy: -1.410
local terms energy: -118.490895
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -31.573
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: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -324.553173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.553173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.553173 (E_RNA)
where:
Base-Base interactions energy: -197.694
where: short stacking energy: -101.719
Base-Backbone interact. energy: -0.038
local terms energy: -126.821097
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -35.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -319.171313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.171313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.171313 (E_RNA)
where:
Base-Base interactions energy: -200.379
where: short stacking energy: -96.716
Base-Backbone interact. energy: -0.852
local terms energy: -117.940463
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -27.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -273.701088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.701088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.701088 (E_RNA)
where:
Base-Base interactions energy: -172.649
where: short stacking energy: -76.138
Base-Backbone interact. energy: -0.242
local terms energy: -100.810222
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -16.475
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: 5, replica: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -252.992214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.992214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.992214 (E_RNA)
where:
Base-Base interactions energy: -153.705
where: short stacking energy: -80.513
Base-Backbone interact. energy: -0.112
local terms energy: -99.175090
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -21.540
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: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -239.891447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.891447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.891447 (E_RNA)
where:
Base-Base interactions energy: -149.581
where: short stacking energy: -82.045
Base-Backbone interact. energy: -0.709
local terms energy: -89.601444
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -217.426328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.426328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.426328 (E_RNA)
where:
Base-Base interactions energy: -131.469
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.594
local terms energy: -85.364057
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -215.074676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.074676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.074676 (E_RNA)
where:
Base-Base interactions energy: -140.335
where: short stacking energy: -65.001
Base-Backbone interact. energy: 0.923
local terms energy: -75.662365
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -234.087093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.087093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.087093 (E_RNA)
where:
Base-Base interactions energy: -135.872
where: short stacking energy: -71.714
Base-Backbone interact. energy: -0.036
local terms energy: -98.179711
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -21.566
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: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -106.938955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.938955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.938955 (E_RNA)
where:
Base-Base interactions energy: -43.709
where: short stacking energy: -43.259
Base-Backbone interact. energy: -0.150
local terms energy: -63.079717
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -6.378
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: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -371.330198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.330198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.330198 (E_RNA)
where:
Base-Base interactions energy: -251.556
where: short stacking energy: -109.628
Base-Backbone interact. energy: -0.050
local terms energy: -119.723740
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -26.310
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -30.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -308.357869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.357869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.357869 (E_RNA)
where:
Base-Base interactions energy: -193.871
where: short stacking energy: -96.150
Base-Backbone interact. energy: -0.250
local terms energy: -114.237167
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -30.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -308.690971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.690971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.690971 (E_RNA)
where:
Base-Base interactions energy: -203.321
where: short stacking energy: -105.783
Base-Backbone interact. energy: -0.008
local terms energy: -105.362617
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -33.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -281.156254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.156254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.156254 (E_RNA)
where:
Base-Base interactions energy: -183.387
where: short stacking energy: -80.360
Base-Backbone interact. energy: -0.584
local terms energy: -97.185588
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -21.113
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: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -263.720389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.720389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.720389 (E_RNA)
where:
Base-Base interactions energy: -178.303
where: short stacking energy: -84.250
Base-Backbone interact. energy: -1.700
local terms energy: -83.717611
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -18.136
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: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -244.234494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.234494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.234494 (E_RNA)
where:
Base-Base interactions energy: -148.260
where: short stacking energy: -77.269
Base-Backbone interact. energy: -0.118
local terms energy: -95.856883
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -10.113
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: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -255.559389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.559389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.559389 (E_RNA)
where:
Base-Base interactions energy: -158.568
where: short stacking energy: -67.844
Base-Backbone interact. energy: 0.832
local terms energy: -97.823047
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -15.235
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: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -205.682046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.682046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.682046 (E_RNA)
where:
Base-Base interactions energy: -128.620
where: short stacking energy: -65.059
Base-Backbone interact. energy: 0.423
local terms energy: -77.485500
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -212.828646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.828646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.828646 (E_RNA)
where:
Base-Base interactions energy: -129.533
where: short stacking energy: -66.486
Base-Backbone interact. energy: 0.156
local terms energy: -83.452221
where:
bonds (distance) C4'-P energy: -24.135
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -15.062
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: 188
Temperature: 1.350000
Total energy: -121.033904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.033904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.033904 (E_RNA)
where:
Base-Base interactions energy: -38.549
where: short stacking energy: -36.303
Base-Backbone interact. energy: -0.182
local terms energy: -82.302841
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -370.122392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.122392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.122392 (E_RNA)
where:
Base-Base interactions energy: -248.393
where: short stacking energy: -112.916
Base-Backbone interact. energy: -0.651
local terms energy: -121.077873
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -34.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -327.208446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.208446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.208446 (E_RNA)
where:
Base-Base interactions energy: -199.036
where: short stacking energy: -106.220
Base-Backbone interact. energy: -0.168
local terms energy: -128.004700
where:
bonds (distance) C4'-P energy: -25.981
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -25.753
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -30.911
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: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -325.207132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.207132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.207132 (E_RNA)
where:
Base-Base interactions energy: -209.868
where: short stacking energy: -104.728
Base-Backbone interact. energy: -0.205
local terms energy: -115.133573
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -32.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -275.427521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.427521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.427521 (E_RNA)
where:
Base-Base interactions energy: -181.430
where: short stacking energy: -95.663
Base-Backbone interact. energy: -0.075
local terms energy: -93.922965
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -24.906
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: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -264.262168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.262168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.262168 (E_RNA)
where:
Base-Base interactions energy: -161.569
where: short stacking energy: -86.026
Base-Backbone interact. energy: -0.071
local terms energy: -102.621419
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -23.099
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -269.574018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.574018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.574018 (E_RNA)
where:
Base-Base interactions energy: -177.100
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.247
local terms energy: -92.227186
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -17.039
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: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -252.692225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.692225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.692225 (E_RNA)
where:
Base-Base interactions energy: -144.942
where: short stacking energy: -74.020
Base-Backbone interact. energy: -0.035
local terms energy: -107.715145
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -26.260
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -22.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -218.644675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.644675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.644675 (E_RNA)
where:
Base-Base interactions energy: -137.117
where: short stacking energy: -64.572
Base-Backbone interact. energy: 2.600
local terms energy: -84.128436
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -200.984958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.984958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.984958 (E_RNA)
where:
Base-Base interactions energy: -120.579
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.660
local terms energy: -79.745745
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -10.140
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: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -96.834407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.834407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.834407 (E_RNA)
where:
Base-Base interactions energy: -29.696
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.303
local terms energy: -66.835251
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -376.165650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.165650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.165650 (E_RNA)
where:
Base-Base interactions energy: -247.893
where: short stacking energy: -113.798
Base-Backbone interact. energy: -0.524
local terms energy: -127.748665
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -35.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -328.609455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.609455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.609455 (E_RNA)
where:
Base-Base interactions energy: -206.905
where: short stacking energy: -107.441
Base-Backbone interact. energy: -0.005
local terms energy: -121.699566
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -33.331
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: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -314.428301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.428301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.428301 (E_RNA)
where:
Base-Base interactions energy: -192.724
where: short stacking energy: -100.265
Base-Backbone interact. energy: -0.006
local terms energy: -121.698424
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -33.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -303.537176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.537176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.537176 (E_RNA)
where:
Base-Base interactions energy: -195.734
where: short stacking energy: -96.762
Base-Backbone interact. energy: 0.354
local terms energy: -108.156881
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -30.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -272.968951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.968951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.968951 (E_RNA)
where:
Base-Base interactions energy: -167.945
where: short stacking energy: -86.401
Base-Backbone interact. energy: 0.109
local terms energy: -105.133614
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -249.696418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.696418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.696418 (E_RNA)
where:
Base-Base interactions energy: -154.025
where: short stacking energy: -74.274
Base-Backbone interact. energy: -0.095
local terms energy: -95.576551
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -16.424
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: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -213.520845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.520845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.520845 (E_RNA)
where:
Base-Base interactions energy: -126.269
where: short stacking energy: -68.527
Base-Backbone interact. energy: 3.676
local terms energy: -90.928206
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -13.425
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: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -183.237464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.237464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.237464 (E_RNA)
where:
Base-Base interactions energy: -98.889
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.775
local terms energy: -83.572745
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -25.243
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -106.613741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.613741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.613741 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -34.888
Base-Backbone interact. energy: 0.318
local terms energy: -70.984536
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -0.139
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: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -208.488400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.488400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.488400 (E_RNA)
where:
Base-Base interactions energy: -128.919
where: short stacking energy: -54.254
Base-Backbone interact. energy: 2.155
local terms energy: -81.724542
where:
bonds (distance) C4'-P energy: -24.977
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -12.233
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: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -364.955769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.955769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.955769 (E_RNA)
where:
Base-Base interactions energy: -238.343
where: short stacking energy: -101.137
Base-Backbone interact. energy: -0.116
local terms energy: -126.497287
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -33.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -326.465212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.465212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.465212 (E_RNA)
where:
Base-Base interactions energy: -211.589
where: short stacking energy: -98.739
Base-Backbone interact. energy: -0.476
local terms energy: -114.399925
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -30.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -335.540038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.540038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.540038 (E_RNA)
where:
Base-Base interactions energy: -208.353
where: short stacking energy: -106.929
Base-Backbone interact. energy: 0.028
local terms energy: -127.215164
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -35.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -311.177324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.177324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.177324 (E_RNA)
where:
Base-Base interactions energy: -194.155
where: short stacking energy: -100.901
Base-Backbone interact. energy: -0.017
local terms energy: -117.006128
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -29.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -265.586239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.586239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.586239 (E_RNA)
where:
Base-Base interactions energy: -161.946
where: short stacking energy: -79.212
Base-Backbone interact. energy: -0.144
local terms energy: -103.496272
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -251.978908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.978908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.978908 (E_RNA)
where:
Base-Base interactions energy: -159.687
where: short stacking energy: -88.530
Base-Backbone interact. energy: 0.453
local terms energy: -92.744704
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -221.177264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.177264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.177264 (E_RNA)
where:
Base-Base interactions energy: -135.262
where: short stacking energy: -69.473
Base-Backbone interact. energy: 2.633
local terms energy: -88.549019
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -25.547
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -14.250
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: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -179.999026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.999026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.999026 (E_RNA)
where:
Base-Base interactions energy: -105.072
where: short stacking energy: -51.361
Base-Backbone interact. energy: 0.669
local terms energy: -75.596094
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -11.420
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: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -108.239144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.239144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.239144 (E_RNA)
where:
Base-Base interactions energy: -40.663
where: short stacking energy: -39.899
Base-Backbone interact. energy: -0.307
local terms energy: -67.269244
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -196.684707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.684707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.684707 (E_RNA)
where:
Base-Base interactions energy: -120.495
where: short stacking energy: -56.342
Base-Backbone interact. energy: -0.336
local terms energy: -75.853647
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -6.422
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: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -362.717674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.717674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.717674 (E_RNA)
where:
Base-Base interactions energy: -242.661
where: short stacking energy: -112.223
Base-Backbone interact. energy: -0.120
local terms energy: -119.936267
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -37.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -321.651508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.651508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.651508 (E_RNA)
where:
Base-Base interactions energy: -205.331
where: short stacking energy: -103.057
Base-Backbone interact. energy: -0.140
local terms energy: -116.180846
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -26.938
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -33.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -315.650595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.650595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.650595 (E_RNA)
where:
Base-Base interactions energy: -194.602
where: short stacking energy: -102.427
Base-Backbone interact. energy: -0.506
local terms energy: -120.543241
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -27.242
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -30.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -294.025044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.025044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.025044 (E_RNA)
where:
Base-Base interactions energy: -184.161
where: short stacking energy: -85.250
Base-Backbone interact. energy: -0.024
local terms energy: -109.840704
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -260.357631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.357631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.357631 (E_RNA)
where:
Base-Base interactions energy: -170.448
where: short stacking energy: -76.005
Base-Backbone interact. energy: 0.863
local terms energy: -90.773195
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -239.126685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.126685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.126685 (E_RNA)
where:
Base-Base interactions energy: -148.509
where: short stacking energy: -69.711
Base-Backbone interact. energy: -0.869
local terms energy: -89.749467
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -21.837
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: 192
Temperature: 1.200000
Total energy: -201.083899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.083899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.083899 (E_RNA)
where:
Base-Base interactions energy: -115.042
where: short stacking energy: -47.704
Base-Backbone interact. energy: 0.378
local terms energy: -86.419979
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -197.043011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.043011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.043011 (E_RNA)
where:
Base-Base interactions energy: -112.250
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.143
local terms energy: -84.650030
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -186.067004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.067004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.067004 (E_RNA)
where:
Base-Base interactions energy: -91.662
where: short stacking energy: -44.992
Base-Backbone interact. energy: -1.718
local terms energy: -92.687292
where:
bonds (distance) C4'-P energy: -22.809
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -119.130005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.130005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.130005 (E_RNA)
where:
Base-Base interactions energy: -36.772
where: short stacking energy: -33.989
Base-Backbone interact. energy: -0.734
local terms energy: -81.624103
where:
bonds (distance) C4'-P energy: -22.601
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -363.729789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.729789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.729789 (E_RNA)
where:
Base-Base interactions energy: -236.246
where: short stacking energy: -105.419
Base-Backbone interact. energy: -0.275
local terms energy: -127.209382
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -32.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -330.996869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.996869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.996869 (E_RNA)
where:
Base-Base interactions energy: -210.284
where: short stacking energy: -95.765
Base-Backbone interact. energy: -0.297
local terms energy: -120.415766
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -24.951
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -30.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -315.593527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.593527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.593527 (E_RNA)
where:
Base-Base interactions energy: -207.054
where: short stacking energy: -105.508
Base-Backbone interact. energy: -0.018
local terms energy: -108.521443
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -30.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -298.435494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.435494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.435494 (E_RNA)
where:
Base-Base interactions energy: -192.088
where: short stacking energy: -92.966
Base-Backbone interact. energy: -0.011
local terms energy: -106.336678
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -268.222074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.222074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.222074 (E_RNA)
where:
Base-Base interactions energy: -169.195
where: short stacking energy: -76.305
Base-Backbone interact. energy: -0.937
local terms energy: -98.090291
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -23.636
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -261.164187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.164187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.164187 (E_RNA)
where:
Base-Base interactions energy: -152.677
where: short stacking energy: -80.687
Base-Backbone interact. energy: -0.122
local terms energy: -108.365724
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -19.134
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: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -200.481799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.481799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.481799 (E_RNA)
where:
Base-Base interactions energy: -120.480
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.226
local terms energy: -79.775594
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -209.321246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.321246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.321246 (E_RNA)
where:
Base-Base interactions energy: -125.113
where: short stacking energy: -64.190
Base-Backbone interact. energy: -0.313
local terms energy: -83.895278
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -9.113
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: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -156.828784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.828784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.828784 (E_RNA)
where:
Base-Base interactions energy: -91.644
where: short stacking energy: -49.087
Base-Backbone interact. energy: 0.945
local terms energy: -66.129044
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -110.610973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.610973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.610973 (E_RNA)
where:
Base-Base interactions energy: -45.868
where: short stacking energy: -28.147
Base-Backbone interact. energy: -0.618
local terms energy: -64.125715
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -372.709375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.709375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.709375 (E_RNA)
where:
Base-Base interactions energy: -255.555
where: short stacking energy: -110.115
Base-Backbone interact. energy: -0.175
local terms energy: -116.979522
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -36.961
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -316.588539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.588539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.588539 (E_RNA)
where:
Base-Base interactions energy: -202.020
where: short stacking energy: -105.119
Base-Backbone interact. energy: -0.031
local terms energy: -114.537139
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -29.308
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: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -321.737059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.737059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.737059 (E_RNA)
where:
Base-Base interactions energy: -202.886
where: short stacking energy: -101.318
Base-Backbone interact. energy: 0.119
local terms energy: -118.970434
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -30.454
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: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -293.600568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.600568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.600568 (E_RNA)
where:
Base-Base interactions energy: -181.579
where: short stacking energy: -94.984
Base-Backbone interact. energy: 0.202
local terms energy: -112.223402
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -26.201
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: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -250.073998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.073998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.073998 (E_RNA)
where:
Base-Base interactions energy: -149.155
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.388
local terms energy: -100.530270
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -242.479899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.479899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.479899 (E_RNA)
where:
Base-Base interactions energy: -149.476
where: short stacking energy: -70.008
Base-Backbone interact. energy: -1.171
local terms energy: -91.832988
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -221.416233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.416233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.416233 (E_RNA)
where:
Base-Base interactions energy: -132.525
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.246
local terms energy: -88.645803
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -205.211399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.211399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.211399 (E_RNA)
where:
Base-Base interactions energy: -120.475
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.628
local terms energy: -84.107793
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -10.738
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: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -178.016194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.016194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.016194 (E_RNA)
where:
Base-Base interactions energy: -110.951
where: short stacking energy: -54.652
Base-Backbone interact. energy: 0.130
local terms energy: -67.195141
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -121.392614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.392614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.392614 (E_RNA)
where:
Base-Base interactions energy: -40.342
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.422
local terms energy: -80.628335
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -356.100509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.100509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.100509 (E_RNA)
where:
Base-Base interactions energy: -237.416
where: short stacking energy: -121.238
Base-Backbone interact. energy: -0.211
local terms energy: -118.473504
where:
bonds (distance) C4'-P energy: -22.039
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -36.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -315.684323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.684323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.684323 (E_RNA)
where:
Base-Base interactions energy: -196.280
where: short stacking energy: -95.505
Base-Backbone interact. energy: -0.200
local terms energy: -119.204778
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -26.124
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -26.786
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: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -303.878498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.878498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.878498 (E_RNA)
where:
Base-Base interactions energy: -193.006
where: short stacking energy: -82.401
Base-Backbone interact. energy: -0.187
local terms energy: -110.685895
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -270.311483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.311483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.311483 (E_RNA)
where:
Base-Base interactions energy: -170.497
where: short stacking energy: -85.043
Base-Backbone interact. energy: -0.017
local terms energy: -99.797646
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -286.686752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.686752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.686752 (E_RNA)
where:
Base-Base interactions energy: -182.449
where: short stacking energy: -79.572
Base-Backbone interact. energy: -0.151
local terms energy: -104.086508
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -23.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -246.559218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.559218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.559218 (E_RNA)
where:
Base-Base interactions energy: -147.277
where: short stacking energy: -60.466
Base-Backbone interact. energy: -1.197
local terms energy: -98.084313
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -218.523149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.523149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.523149 (E_RNA)
where:
Base-Base interactions energy: -137.424
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.468
local terms energy: -80.631686
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -9.575
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: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -202.106502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.106502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.106502 (E_RNA)
where:
Base-Base interactions energy: -117.831
where: short stacking energy: -65.043
Base-Backbone interact. energy: 0.775
local terms energy: -85.050264
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -201.927588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.927588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.927588 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -65.641
Base-Backbone interact. energy: -0.161
local terms energy: -69.075412
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -101.740633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.740633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.740633 (E_RNA)
where:
Base-Base interactions energy: -37.060
where: short stacking energy: -20.304
Base-Backbone interact. energy: -1.053
local terms energy: -63.627608
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -357.935392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.935392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.935392 (E_RNA)
where:
Base-Base interactions energy: -236.642
where: short stacking energy: -108.495
Base-Backbone interact. energy: -0.176
local terms energy: -121.117015
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -31.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -312.641969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.641969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.641969 (E_RNA)
where:
Base-Base interactions energy: -205.454
where: short stacking energy: -101.555
Base-Backbone interact. energy: -0.039
local terms energy: -107.149121
where:
bonds (distance) C4'-P energy: -23.807
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -27.300
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: 9
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -315.303116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.303116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.303116 (E_RNA)
where:
Base-Base interactions energy: -208.826
where: short stacking energy: -105.318
Base-Backbone interact. energy: -0.209
local terms energy: -106.268271
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -31.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -276.254097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.254097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.254097 (E_RNA)
where:
Base-Base interactions energy: -181.528
where: short stacking energy: -80.950
Base-Backbone interact. energy: -1.211
local terms energy: -93.514541
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -296.793718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.793718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.793718 (E_RNA)
where:
Base-Base interactions energy: -187.925
where: short stacking energy: -84.258
Base-Backbone interact. energy: -0.127
local terms energy: -108.742142
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -247.109319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.109319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.109319 (E_RNA)
where:
Base-Base interactions energy: -146.747
where: short stacking energy: -79.268
Base-Backbone interact. energy: 0.305
local terms energy: -100.666637
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -14.677
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: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -236.259540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.259540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.259540 (E_RNA)
where:
Base-Base interactions energy: -143.401
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.391
local terms energy: -92.467373
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -13.217
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: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -233.635172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.635172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.635172 (E_RNA)
where:
Base-Base interactions energy: -140.518
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.101
local terms energy: -93.016507
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -15.092
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: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -197.166290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.166290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.166290 (E_RNA)
where:
Base-Base interactions energy: -113.906
where: short stacking energy: -48.100
Base-Backbone interact. energy: -0.172
local terms energy: -83.088147
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -110.624054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.624054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.624054 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.315
local terms energy: -70.640235
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: 1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -361.846242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.846242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.846242 (E_RNA)
where:
Base-Base interactions energy: -246.620
where: short stacking energy: -112.507
Base-Backbone interact. energy: -0.120
local terms energy: -115.106956
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -31.193
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: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -313.938381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.938381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.938381 (E_RNA)
where:
Base-Base interactions energy: -197.089
where: short stacking energy: -96.275
Base-Backbone interact. energy: -0.129
local terms energy: -116.720606
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -296.301874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.301874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.301874 (E_RNA)
where:
Base-Base interactions energy: -190.013
where: short stacking energy: -96.776
Base-Backbone interact. energy: -0.011
local terms energy: -106.277626
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -23.706
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -295.405161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.405161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.405161 (E_RNA)
where:
Base-Base interactions energy: -186.290
where: short stacking energy: -87.759
Base-Backbone interact. energy: -0.259
local terms energy: -108.856412
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -264.451248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.451248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.451248 (E_RNA)
where:
Base-Base interactions energy: -168.061
where: short stacking energy: -76.647
Base-Backbone interact. energy: -1.163
local terms energy: -95.227370
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -243.388883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.388883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.388883 (E_RNA)
where:
Base-Base interactions energy: -146.677
where: short stacking energy: -75.997
Base-Backbone interact. energy: -0.122
local terms energy: -96.589844
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -233.538060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.538060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.538060 (E_RNA)
where:
Base-Base interactions energy: -148.430
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.636
local terms energy: -84.471591
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -211.108965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.108965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.108965 (E_RNA)
where:
Base-Base interactions energy: -125.827
where: short stacking energy: -64.694
Base-Backbone interact. energy: -0.348
local terms energy: -84.934229
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -218.867624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.867624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.867624 (E_RNA)
where:
Base-Base interactions energy: -138.340
where: short stacking energy: -75.817
Base-Backbone interact. energy: -0.249
local terms energy: -80.279388
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -10.336
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: 197
Temperature: 1.350000
Total energy: -115.024230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.024230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.024230 (E_RNA)
where:
Base-Base interactions energy: -34.973
where: short stacking energy: -23.735
Base-Backbone interact. energy: -0.140
local terms energy: -79.911122
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: 2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -327.130689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.130689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.130689 (E_RNA)
where:
Base-Base interactions energy: -200.252
where: short stacking energy: -98.339
Base-Backbone interact. energy: -0.013
local terms energy: -126.865508
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -30.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -351.034139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.034139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.034139 (E_RNA)
where:
Base-Base interactions energy: -240.577
where: short stacking energy: -107.560
Base-Backbone interact. energy: 1.863
local terms energy: -112.320445
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -34.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -327.940489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.940489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.940489 (E_RNA)
where:
Base-Base interactions energy: -215.356
where: short stacking energy: -104.952
Base-Backbone interact. energy: 2.924
local terms energy: -115.508747
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -317.726583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.726583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.726583 (E_RNA)
where:
Base-Base interactions energy: -202.540
where: short stacking energy: -93.965
Base-Backbone interact. energy: 0.114
local terms energy: -115.300241
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -28.091
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -29.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -247.028852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.028852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.028852 (E_RNA)
where:
Base-Base interactions energy: -151.826
where: short stacking energy: -76.559
Base-Backbone interact. energy: -0.130
local terms energy: -95.073030
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -255.426623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.426623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.426623 (E_RNA)
where:
Base-Base interactions energy: -172.580
where: short stacking energy: -82.280
Base-Backbone interact. energy: 2.129
local terms energy: -84.975324
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -28.283
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -218.376157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.376157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.376157 (E_RNA)
where:
Base-Base interactions energy: -128.187
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.044
local terms energy: -90.145561
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -12.722
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: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -226.976607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.976607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.976607 (E_RNA)
where:
Base-Base interactions energy: -137.268
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.175
local terms energy: -89.533786
where:
bonds (distance) C4'-P energy: -23.069
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -226.012264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.012264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.012264 (E_RNA)
where:
Base-Base interactions energy: -135.206
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.253
local terms energy: -90.553141
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -25.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -101.657706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.657706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.657706 (E_RNA)
where:
Base-Base interactions energy: -40.334
where: short stacking energy: -25.859
Base-Backbone interact. energy: 0.538
local terms energy: -61.862306
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -6.640
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: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -328.341028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.341028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.341028 (E_RNA)
where:
Base-Base interactions energy: -208.306
where: short stacking energy: -107.474
Base-Backbone interact. energy: -0.010
local terms energy: -120.025436
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -32.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -361.154574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.154574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.154574 (E_RNA)
where:
Base-Base interactions energy: -230.896
where: short stacking energy: -103.432
Base-Backbone interact. energy: -0.023
local terms energy: -130.234741
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -34.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -302.152031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.152031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.152031 (E_RNA)
where:
Base-Base interactions energy: -200.741
where: short stacking energy: -93.623
Base-Backbone interact. energy: -1.015
local terms energy: -100.396464
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -297.324856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.324856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.324856 (E_RNA)
where:
Base-Base interactions energy: -196.579
where: short stacking energy: -92.872
Base-Backbone interact. energy: -0.096
local terms energy: -100.649916
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -23.847
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: 199
Temperature: 1.100000
Total energy: -247.740362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.740362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.740362 (E_RNA)
where:
Base-Base interactions energy: -156.324
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.739
local terms energy: -90.677189
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -13.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -237.971951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.971951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.971951 (E_RNA)
where:
Base-Base interactions energy: -140.380
where: short stacking energy: -71.081
Base-Backbone interact. energy: -0.379
local terms energy: -97.212740
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -217.406974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.406974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.406974 (E_RNA)
where:
Base-Base interactions energy: -128.843
where: short stacking energy: -61.951
Base-Backbone interact. energy: -0.262
local terms energy: -88.301357
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -223.908408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.908408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.908408 (E_RNA)
where:
Base-Base interactions energy: -129.421
where: short stacking energy: -68.391
Base-Backbone interact. energy: 0.941
local terms energy: -95.428428
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -15.213
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: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -212.545391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.545391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.545391 (E_RNA)
where:
Base-Base interactions energy: -133.914
where: short stacking energy: -60.247
Base-Backbone interact. energy: 0.547
local terms energy: -79.178566
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -10.603
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: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -122.382702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.382702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.382702 (E_RNA)
where:
Base-Base interactions energy: -46.310
where: short stacking energy: -43.339
Base-Backbone interact. energy: -0.138
local terms energy: -75.934130
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -4.146
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: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -364.999327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.999327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.999327 (E_RNA)
where:
Base-Base interactions energy: -242.383
where: short stacking energy: -108.817
Base-Backbone interact. energy: -0.144
local terms energy: -122.472197
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -27.390
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -34.160
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: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -313.565776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.565776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.565776 (E_RNA)
where:
Base-Base interactions energy: -193.077
where: short stacking energy: -95.142
Base-Backbone interact. energy: 1.366
local terms energy: -121.855111
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -26.674
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: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -304.460260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.460260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.460260 (E_RNA)
where:
Base-Base interactions energy: -197.222
where: short stacking energy: -87.234
Base-Backbone interact. energy: -0.037
local terms energy: -107.200827
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -31.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -293.762827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.762827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.762827 (E_RNA)
where:
Base-Base interactions energy: -190.094
where: short stacking energy: -98.923
Base-Backbone interact. energy: -0.059
local terms energy: -103.609422
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -29.692
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: 200
Temperature: 1.100000
Total energy: -250.226249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.226249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.226249 (E_RNA)
where:
Base-Base interactions energy: -155.771
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.086
local terms energy: -94.369274
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -13.076
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: 200
Temperature: 1.150000
Total energy: -254.581902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.581902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.581902 (E_RNA)
where:
Base-Base interactions energy: -158.284
where: short stacking energy: -76.292
Base-Backbone interact. energy: -0.218
local terms energy: -96.080024
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -19.073
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: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -244.222817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.222817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.222817 (E_RNA)
where:
Base-Base interactions energy: -147.831
where: short stacking energy: -76.170
Base-Backbone interact. energy: 2.913
local terms energy: -99.304463
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -16.360
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: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -204.813052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.813052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.813052 (E_RNA)
where:
Base-Base interactions energy: -124.078
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.587
local terms energy: -80.147314
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -9.314
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: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -113.925167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.925167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.925167 (E_RNA)
where:
Base-Base interactions energy: -37.211
where: short stacking energy: -33.945
Base-Backbone interact. energy: -1.155
local terms energy: -75.559780
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -185.148193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.148193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.148193 (E_RNA)
where:
Base-Base interactions energy: -110.452
where: short stacking energy: -47.113
Base-Backbone interact. energy: -0.355
local terms energy: -74.341005
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -363.639195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.639195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.639195 (E_RNA)
where:
Base-Base interactions energy: -247.311
where: short stacking energy: -112.183
Base-Backbone interact. energy: -0.134
local terms energy: -116.193503
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -32.542
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: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -319.958177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.958177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.958177 (E_RNA)
where:
Base-Base interactions energy: -210.474
where: short stacking energy: -92.741
Base-Backbone interact. energy: 2.434
local terms energy: -111.918513
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -314.894987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.894987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.894987 (E_RNA)
where:
Base-Base interactions energy: -193.930
where: short stacking energy: -94.954
Base-Backbone interact. energy: -0.030
local terms energy: -120.934630
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -31.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -305.912906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.912906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.912906 (E_RNA)
where:
Base-Base interactions energy: -197.530
where: short stacking energy: -90.044
Base-Backbone interact. energy: -0.424
local terms energy: -107.959133
where:
bonds (distance) C4'-P energy: -23.421
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -265.213546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.213546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.213546 (E_RNA)
where:
Base-Base interactions energy: -172.206
where: short stacking energy: -75.675
Base-Backbone interact. energy: -0.022
local terms energy: -92.985544
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -238.479140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.479140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.479140 (E_RNA)
where:
Base-Base interactions energy: -139.665
where: short stacking energy: -76.631
Base-Backbone interact. energy: 0.090
local terms energy: -98.904272
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -23.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -245.139521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.139521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.139521 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -79.543
Base-Backbone interact. energy: -0.102
local terms energy: -90.719436
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -14.879
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: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -186.969608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.969608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.969608 (E_RNA)
where:
Base-Base interactions energy: -105.604
where: short stacking energy: -47.421
Base-Backbone interact. energy: -0.206
local terms energy: -81.159796
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -9.256
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: 201
Temperature: 1.300000
Total energy: -117.277553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.277553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.277553 (E_RNA)
where:
Base-Base interactions energy: -46.666
where: short stacking energy: -38.572
Base-Backbone interact. energy: 0.312
local terms energy: -70.923525
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -224.493230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.493230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.493230 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -63.734
Base-Backbone interact. energy: 0.078
local terms energy: -82.508878
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -6.516
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: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -358.976918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.976918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.976918 (E_RNA)
where:
Base-Base interactions energy: -235.994
where: short stacking energy: -105.891
Base-Backbone interact. energy: -0.210
local terms energy: -122.772922
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -34.174
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: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -308.091374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.091374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.091374 (E_RNA)
where:
Base-Base interactions energy: -195.769
where: short stacking energy: -92.146
Base-Backbone interact. energy: -0.738
local terms energy: -111.585147
where:
bonds (distance) C4'-P energy: -21.690
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -30.510
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: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -315.635153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.635153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.635153 (E_RNA)
where:
Base-Base interactions energy: -196.642
where: short stacking energy: -100.745
Base-Backbone interact. energy: -0.056
local terms energy: -118.937202
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -309.250957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.250957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.250957 (E_RNA)
where:
Base-Base interactions energy: -200.355
where: short stacking energy: -97.858
Base-Backbone interact. energy: -0.315
local terms energy: -108.581225
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -269.068056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.068056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.068056 (E_RNA)
where:
Base-Base interactions energy: -170.962
where: short stacking energy: -84.182
Base-Backbone interact. energy: -0.483
local terms energy: -97.622689
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -251.841297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.841297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.841297 (E_RNA)
where:
Base-Base interactions energy: -145.685
where: short stacking energy: -74.129
Base-Backbone interact. energy: -0.926
local terms energy: -105.229694
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -244.319336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.319336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.319336 (E_RNA)
where:
Base-Base interactions energy: -146.187
where: short stacking energy: -72.228
Base-Backbone interact. energy: -0.266
local terms energy: -97.866387
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -11.887
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: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -209.047573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.047573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.047573 (E_RNA)
where:
Base-Base interactions energy: -127.274
where: short stacking energy: -56.529
Base-Backbone interact. energy: -0.077
local terms energy: -81.696954
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -215.123366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.123366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.123366 (E_RNA)
where:
Base-Base interactions energy: -140.117
where: short stacking energy: -61.538
Base-Backbone interact. energy: -0.785
local terms energy: -74.221027
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -105.246034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.246034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.246034 (E_RNA)
where:
Base-Base interactions energy: -32.036
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.371
local terms energy: -72.838743
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -352.787843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.787843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.787843 (E_RNA)
where:
Base-Base interactions energy: -229.034
where: short stacking energy: -110.486
Base-Backbone interact. energy: -0.063
local terms energy: -123.690699
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -23.282
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -34.377
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: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -328.973839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.973839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.973839 (E_RNA)
where:
Base-Base interactions energy: -221.834
where: short stacking energy: -110.586
Base-Backbone interact. energy: 0.088
local terms energy: -107.227863
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -302.979564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.979564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.979564 (E_RNA)
where:
Base-Base interactions energy: -201.555
where: short stacking energy: -98.402
Base-Backbone interact. energy: 0.181
local terms energy: -101.605250
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -266.635369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.635369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.635369 (E_RNA)
where:
Base-Base interactions energy: -156.156
where: short stacking energy: -73.707
Base-Backbone interact. energy: -0.094
local terms energy: -110.384919
where:
bonds (distance) C4'-P energy: -26.655
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -278.243889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.243889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.243889 (E_RNA)
where:
Base-Base interactions energy: -168.258
where: short stacking energy: -84.356
Base-Backbone interact. energy: -0.227
local terms energy: -109.758656
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -24.309
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -18.932
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: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -246.736000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.736000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.736000 (E_RNA)
where:
Base-Base interactions energy: -147.781
where: short stacking energy: -68.583
Base-Backbone interact. energy: -0.127
local terms energy: -98.828718
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -16.647
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: 203
Temperature: 1.200000
Total energy: -246.544318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.544318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.544318 (E_RNA)
where:
Base-Base interactions energy: -154.450
where: short stacking energy: -77.151
Base-Backbone interact. energy: -0.261
local terms energy: -91.833454
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -223.135042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.135042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.135042 (E_RNA)
where:
Base-Base interactions energy: -135.946
where: short stacking energy: -64.473
Base-Backbone interact. energy: -0.260
local terms energy: -86.929518
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -21.569
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -178.765743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.765743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.765743 (E_RNA)
where:
Base-Base interactions energy: -102.242
where: short stacking energy: -51.544
Base-Backbone interact. energy: -0.131
local terms energy: -76.393080
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -103.687224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.687224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.687224 (E_RNA)
where:
Base-Base interactions energy: -29.685
where: short stacking energy: -29.685
Base-Backbone interact. energy: -0.393
local terms energy: -73.608903
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: 1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -356.149435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.149435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.149435 (E_RNA)
where:
Base-Base interactions energy: -235.759
where: short stacking energy: -103.183
Base-Backbone interact. energy: -0.246
local terms energy: -120.145139
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -31.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -332.334652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.334652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.334652 (E_RNA)
where:
Base-Base interactions energy: -216.683
where: short stacking energy: -112.589
Base-Backbone interact. energy: -0.027
local terms energy: -115.625187
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -32.885
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: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -306.402640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.402640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.402640 (E_RNA)
where:
Base-Base interactions energy: -197.476
where: short stacking energy: -90.736
Base-Backbone interact. energy: -0.105
local terms energy: -108.821723
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -278.756241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.756241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.756241 (E_RNA)
where:
Base-Base interactions energy: -171.016
where: short stacking energy: -94.381
Base-Backbone interact. energy: -0.087
local terms energy: -107.653218
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -28.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -304.690189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.690189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.690189 (E_RNA)
where:
Base-Base interactions energy: -190.527
where: short stacking energy: -86.790
Base-Backbone interact. energy: -0.053
local terms energy: -114.110375
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -27.326
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: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -244.996089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.996089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.996089 (E_RNA)
where:
Base-Base interactions energy: -149.425
where: short stacking energy: -77.337
Base-Backbone interact. energy: -0.305
local terms energy: -95.266190
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -216.089370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.089370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.089370 (E_RNA)
where:
Base-Base interactions energy: -126.294
where: short stacking energy: -58.302
Base-Backbone interact. energy: -0.044
local terms energy: -89.750687
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: -12.417
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: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -228.488446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.488446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.488446 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.348
local terms energy: -92.829011
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -12.092
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: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -189.766667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.766667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.766667 (E_RNA)
where:
Base-Base interactions energy: -117.407
where: short stacking energy: -55.690
Base-Backbone interact. energy: -0.217
local terms energy: -72.142376
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -126.138820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.138820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.138820 (E_RNA)
where:
Base-Base interactions energy: -42.672
where: short stacking energy: -40.818
Base-Backbone interact. energy: -0.591
local terms energy: -82.875921
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -358.109084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.109084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.109084 (E_RNA)
where:
Base-Base interactions energy: -241.539
where: short stacking energy: -105.507
Base-Backbone interact. energy: -0.779
local terms energy: -115.791438
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -26.429
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: 205
Temperature: 0.950000
Total energy: -322.111311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.111311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.111311 (E_RNA)
where:
Base-Base interactions energy: -204.523
where: short stacking energy: -97.077
Base-Backbone interact. energy: -2.352
local terms energy: -115.236026
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -28.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -313.220778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.220778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.220778 (E_RNA)
where:
Base-Base interactions energy: -196.395
where: short stacking energy: -103.804
Base-Backbone interact. energy: 0.840
local terms energy: -117.665071
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -27.261
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -268.340437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.340437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.340437 (E_RNA)
where:
Base-Base interactions energy: -164.085
where: short stacking energy: -89.811
Base-Backbone interact. energy: -0.006
local terms energy: -104.249222
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -287.491130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.491130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.491130 (E_RNA)
where:
Base-Base interactions energy: -179.477
where: short stacking energy: -79.736
Base-Backbone interact. energy: 0.199
local terms energy: -108.213843
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -261.305642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.305642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.305642 (E_RNA)
where:
Base-Base interactions energy: -155.731
where: short stacking energy: -87.708
Base-Backbone interact. energy: -0.025
local terms energy: -105.550163
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -215.837873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.837873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.837873 (E_RNA)
where:
Base-Base interactions energy: -128.266
where: short stacking energy: -57.241
Base-Backbone interact. energy: 0.194
local terms energy: -87.766110
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -12.973
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: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -226.691362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.691362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.691362 (E_RNA)
where:
Base-Base interactions energy: -148.018
where: short stacking energy: -59.617
Base-Backbone interact. energy: -1.759
local terms energy: -76.914357
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -16.440
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: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -192.304444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.304444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.304444 (E_RNA)
where:
Base-Base interactions energy: -110.492
where: short stacking energy: -56.165
Base-Backbone interact. energy: -0.100
local terms energy: -81.712836
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -11.658
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: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -107.283675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.283675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.283675 (E_RNA)
where:
Base-Base interactions energy: -37.670
where: short stacking energy: -31.358
Base-Backbone interact. energy: -0.839
local terms energy: -68.775140
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: 4.348
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: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -362.954811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.954811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.954811 (E_RNA)
where:
Base-Base interactions energy: -240.929
where: short stacking energy: -96.522
Base-Backbone interact. energy: -0.315
local terms energy: -121.710057
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -31.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -332.058922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.058922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.058922 (E_RNA)
where:
Base-Base interactions energy: -213.033
where: short stacking energy: -108.177
Base-Backbone interact. energy: -0.063
local terms energy: -118.963464
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -305.765319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.765319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.765319 (E_RNA)
where:
Base-Base interactions energy: -194.305
where: short stacking energy: -96.228
Base-Backbone interact. energy: -0.166
local terms energy: -111.294459
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -26.534
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: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -268.369245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.369245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.369245 (E_RNA)
where:
Base-Base interactions energy: -165.774
where: short stacking energy: -82.880
Base-Backbone interact. energy: 0.435
local terms energy: -103.030853
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -24.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -292.614996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.614996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.614996 (E_RNA)
where:
Base-Base interactions energy: -181.454
where: short stacking energy: -90.185
Base-Backbone interact. energy: -0.005
local terms energy: -111.156200
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -28.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -249.632692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.632692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.632692 (E_RNA)
where:
Base-Base interactions energy: -154.574
where: short stacking energy: -71.151
Base-Backbone interact. energy: 1.543
local terms energy: -96.601925
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -237.433395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.433395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.433395 (E_RNA)
where:
Base-Base interactions energy: -151.948
where: short stacking energy: -76.408
Base-Backbone interact. energy: -0.317
local terms energy: -85.168790
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -240.930298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.930298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.930298 (E_RNA)
where:
Base-Base interactions energy: -162.294
where: short stacking energy: -73.139
Base-Backbone interact. energy: -0.343
local terms energy: -78.292837
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -117.579665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.579665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.579665 (E_RNA)
where:
Base-Base interactions energy: -52.298
where: short stacking energy: -42.738
Base-Backbone interact. energy: 0.352
local terms energy: -65.633203
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -2.647
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: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -178.831220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.831220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.831220 (E_RNA)
where:
Base-Base interactions energy: -107.891
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.366
local terms energy: -70.574655
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: 2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -362.989033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.989033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.989033 (E_RNA)
where:
Base-Base interactions energy: -244.828
where: short stacking energy: -103.286
Base-Backbone interact. energy: -0.435
local terms energy: -117.726508
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -35.083
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: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -333.597135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.597135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.597135 (E_RNA)
where:
Base-Base interactions energy: -217.327
where: short stacking energy: -102.667
Base-Backbone interact. energy: 0.041
local terms energy: -116.310763
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -30.757
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: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -308.189748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.189748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.189748 (E_RNA)
where:
Base-Base interactions energy: -191.224
where: short stacking energy: -96.766
Base-Backbone interact. energy: 0.378
local terms energy: -117.343224
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -26.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -279.784517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.784517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.784517 (E_RNA)
where:
Base-Base interactions energy: -176.826
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.125
local terms energy: -102.833681
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -258.378413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.378413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.378413 (E_RNA)
where:
Base-Base interactions energy: -159.196
where: short stacking energy: -80.843
Base-Backbone interact. energy: -0.047
local terms energy: -99.134907
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -228.058085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.058085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.058085 (E_RNA)
where:
Base-Base interactions energy: -131.350
where: short stacking energy: -77.391
Base-Backbone interact. energy: -0.806
local terms energy: -95.902095
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -22.195
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -238.273645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.273645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.273645 (E_RNA)
where:
Base-Base interactions energy: -156.369
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.235
local terms energy: -81.668981
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -233.330023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.330023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.330023 (E_RNA)
where:
Base-Base interactions energy: -147.293
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.347
local terms energy: -85.690743
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -109.603634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.603634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.603634 (E_RNA)
where:
Base-Base interactions energy: -43.828
where: short stacking energy: -44.428
Base-Backbone interact. energy: -0.563
local terms energy: -65.213131
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -5.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -168.833809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.833809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.833809 (E_RNA)
where:
Base-Base interactions energy: -94.364
where: short stacking energy: -51.419
Base-Backbone interact. energy: 0.017
local terms energy: -74.486864
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -358.591141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.591141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.591141 (E_RNA)
where:
Base-Base interactions energy: -239.520
where: short stacking energy: -108.200
Base-Backbone interact. energy: -0.119
local terms energy: -118.952804
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -34.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -336.069279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.069279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.069279 (E_RNA)
where:
Base-Base interactions energy: -215.831
where: short stacking energy: -117.761
Base-Backbone interact. energy: -0.035
local terms energy: -120.203463
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -35.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -313.091611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.091611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.091611 (E_RNA)
where:
Base-Base interactions energy: -205.730
where: short stacking energy: -103.782
Base-Backbone interact. energy: -0.102
local terms energy: -107.259480
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -27.822
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -31.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -285.284964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.284964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.284964 (E_RNA)
where:
Base-Base interactions energy: -182.618
where: short stacking energy: -86.845
Base-Backbone interact. energy: -0.141
local terms energy: -102.526356
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -262.049918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.049918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.049918 (E_RNA)
where:
Base-Base interactions energy: -156.781
where: short stacking energy: -90.926
Base-Backbone interact. energy: -0.128
local terms energy: -105.140395
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -28.077
flat angles P-C4'-P energy: -10.445
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: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -236.359241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.359241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.359241 (E_RNA)
where:
Base-Base interactions energy: -144.636
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.876
local terms energy: -90.846639
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -15.947
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: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -231.097945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.097945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.097945 (E_RNA)
where:
Base-Base interactions energy: -138.374
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.614
local terms energy: -92.109849
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -16.561
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: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -215.970649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.970649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.970649 (E_RNA)
where:
Base-Base interactions energy: -132.956
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.287
local terms energy: -82.728054
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -15.883
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: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -203.302985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.302985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.302985 (E_RNA)
where:
Base-Base interactions energy: -119.709
where: short stacking energy: -52.896
Base-Backbone interact. energy: -0.532
local terms energy: -83.062189
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -26.034
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -115.196073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.196073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.196073 (E_RNA)
where:
Base-Base interactions energy: -43.212
where: short stacking energy: -30.901
Base-Backbone interact. energy: -0.203
local terms energy: -71.780956
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -359.432139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.432139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.432139 (E_RNA)
where:
Base-Base interactions energy: -245.024
where: short stacking energy: -103.414
Base-Backbone interact. energy: -0.164
local terms energy: -114.244422
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -30.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -332.014659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.014659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.014659 (E_RNA)
where:
Base-Base interactions energy: -205.458
where: short stacking energy: -109.654
Base-Backbone interact. energy: -0.001
local terms energy: -126.555157
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -26.368
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -38.134
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: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -299.125330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.125330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.125330 (E_RNA)
where:
Base-Base interactions energy: -189.410
where: short stacking energy: -105.047
Base-Backbone interact. energy: 0.187
local terms energy: -109.901950
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -27.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -289.320278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.320278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.320278 (E_RNA)
where:
Base-Base interactions energy: -182.868
where: short stacking energy: -81.479
Base-Backbone interact. energy: -0.347
local terms energy: -106.104512
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -240.997471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.997471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.997471 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -81.020
Base-Backbone interact. energy: -0.096
local terms energy: -97.360994
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -18.051
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: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -246.506259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.506259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.506259 (E_RNA)
where:
Base-Base interactions energy: -145.998
where: short stacking energy: -74.429
Base-Backbone interact. energy: -0.223
local terms energy: -100.285296
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -230.539248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.539248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.539248 (E_RNA)
where:
Base-Base interactions energy: -147.353
where: short stacking energy: -83.255
Base-Backbone interact. energy: -0.191
local terms energy: -82.995305
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -12.978
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: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -217.803451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.803451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.803451 (E_RNA)
where:
Base-Base interactions energy: -127.818
where: short stacking energy: -62.833
Base-Backbone interact. energy: -0.116
local terms energy: -89.869537
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -214.217761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.217761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.217761 (E_RNA)
where:
Base-Base interactions energy: -125.265
where: short stacking energy: -54.121
Base-Backbone interact. energy: 1.105
local terms energy: -90.058044
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -15.382
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: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -104.204239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.204239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.204239 (E_RNA)
where:
Base-Base interactions energy: -34.809
where: short stacking energy: -34.649
Base-Backbone interact. energy: -0.376
local terms energy: -69.020095
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -4.983
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: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -324.296728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.296728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.296728 (E_RNA)
where:
Base-Base interactions energy: -205.367
where: short stacking energy: -98.376
Base-Backbone interact. energy: -0.004
local terms energy: -118.925686
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -357.963872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.963872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.963872 (E_RNA)
where:
Base-Base interactions energy: -232.918
where: short stacking energy: -102.587
Base-Backbone interact. energy: -0.290
local terms energy: -124.755624
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: -35.291
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: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -303.636939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.636939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.636939 (E_RNA)
where:
Base-Base interactions energy: -203.682
where: short stacking energy: -99.405
Base-Backbone interact. energy: -0.579
local terms energy: -99.376294
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -28.490
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: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -293.135650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.135650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.135650 (E_RNA)
where:
Base-Base interactions energy: -184.738
where: short stacking energy: -86.594
Base-Backbone interact. energy: 1.078
local terms energy: -109.475617
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -245.948172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.948172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.948172 (E_RNA)
where:
Base-Base interactions energy: -157.436
where: short stacking energy: -85.250
Base-Backbone interact. energy: -0.269
local terms energy: -88.244038
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -243.080614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.080614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.080614 (E_RNA)
where:
Base-Base interactions energy: -152.753
where: short stacking energy: -67.699
Base-Backbone interact. energy: -0.404
local terms energy: -89.923035
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -220.271357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.271357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.271357 (E_RNA)
where:
Base-Base interactions energy: -137.343
where: short stacking energy: -68.738
Base-Backbone interact. energy: 1.059
local terms energy: -83.987332
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -14.425
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: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -219.492226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.492226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.492226 (E_RNA)
where:
Base-Base interactions energy: -141.911
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.433
local terms energy: -77.148650
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -13.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -209.663754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.663754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.663754 (E_RNA)
where:
Base-Base interactions energy: -129.288
where: short stacking energy: -63.946
Base-Backbone interact. energy: 0.863
local terms energy: -81.238782
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -12.802
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: 10, replica: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -111.628184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.628184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.628184 (E_RNA)
where:
Base-Base interactions energy: -46.874
where: short stacking energy: -27.537
Base-Backbone interact. energy: -0.341
local terms energy: -64.412669
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -333.142569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.142569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.142569 (E_RNA)
where:
Base-Base interactions energy: -216.177
where: short stacking energy: -90.031
Base-Backbone interact. energy: -0.142
local terms energy: -116.823431
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -315.934296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.934296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.934296 (E_RNA)
where:
Base-Base interactions energy: -204.767
where: short stacking energy: -107.461
Base-Backbone interact. energy: 0.682
local terms energy: -111.848697
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -29.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -355.600062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.600062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.600062 (E_RNA)
where:
Base-Base interactions energy: -234.940
where: short stacking energy: -103.815
Base-Backbone interact. energy: -0.120
local terms energy: -120.539346
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -35.548
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: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -297.934096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.934096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.934096 (E_RNA)
where:
Base-Base interactions energy: -206.499
where: short stacking energy: -88.519
Base-Backbone interact. energy: 0.961
local terms energy: -92.395998
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -25.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -264.970075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.970075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.970075 (E_RNA)
where:
Base-Base interactions energy: -169.148
where: short stacking energy: -80.775
Base-Backbone interact. energy: -0.004
local terms energy: -95.818224
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -12.199
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: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -238.367515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.367515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.367515 (E_RNA)
where:
Base-Base interactions energy: -145.424
where: short stacking energy: -66.642
Base-Backbone interact. energy: -0.150
local terms energy: -92.793197
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -5.950
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: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -250.752149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.752149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.752149 (E_RNA)
where:
Base-Base interactions energy: -156.866
where: short stacking energy: -82.393
Base-Backbone interact. energy: -0.319
local terms energy: -93.567048
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -223.221603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.221603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.221603 (E_RNA)
where:
Base-Base interactions energy: -135.014
where: short stacking energy: -68.928
Base-Backbone interact. energy: 0.028
local terms energy: -88.235347
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -14.874
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: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -191.787534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.787534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.787534 (E_RNA)
where:
Base-Base interactions energy: -118.335
where: short stacking energy: -60.668
Base-Backbone interact. energy: -1.941
local terms energy: -71.511673
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -6.230
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: 211
Temperature: 1.350000
Total energy: -98.644448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.644448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.644448 (E_RNA)
where:
Base-Base interactions energy: -50.923
where: short stacking energy: -30.919
Base-Backbone interact. energy: 0.914
local terms energy: -48.635320
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: 3.324
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: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -333.369358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.369358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.369358 (E_RNA)
where:
Base-Base interactions energy: -214.411
where: short stacking energy: -109.073
Base-Backbone interact. energy: -0.064
local terms energy: -118.894809
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -26.627
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -30.279
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: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -330.129597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.129597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.129597 (E_RNA)
where:
Base-Base interactions energy: -206.485
where: short stacking energy: -107.915
Base-Backbone interact. energy: -0.157
local terms energy: -123.487680
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -34.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -354.993157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.993157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.993157 (E_RNA)
where:
Base-Base interactions energy: -242.214
where: short stacking energy: -107.466
Base-Backbone interact. energy: -0.102
local terms energy: -112.677094
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -35.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -307.849902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.849902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.849902 (E_RNA)
where:
Base-Base interactions energy: -193.973
where: short stacking energy: -95.370
Base-Backbone interact. energy: 0.242
local terms energy: -114.118962
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -26.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -253.041443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.041443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.041443 (E_RNA)
where:
Base-Base interactions energy: -154.696
where: short stacking energy: -64.381
Base-Backbone interact. energy: -0.577
local terms energy: -97.769347
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -17.739
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: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -255.448503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.448503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.448503 (E_RNA)
where:
Base-Base interactions energy: -158.812
where: short stacking energy: -82.839
Base-Backbone interact. energy: 0.139
local terms energy: -96.776397
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -17.897
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: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -226.252556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.252556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.252556 (E_RNA)
where:
Base-Base interactions energy: -127.583
where: short stacking energy: -63.375
Base-Backbone interact. energy: -1.009
local terms energy: -97.660302
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -16.307
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: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -229.263918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.263918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.263918 (E_RNA)
where:
Base-Base interactions energy: -144.093
where: short stacking energy: -62.686
Base-Backbone interact. energy: -0.028
local terms energy: -85.143142
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -188.584031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.584031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.584031 (E_RNA)
where:
Base-Base interactions energy: -107.935
where: short stacking energy: -51.691
Base-Backbone interact. energy: -0.204
local terms energy: -80.444241
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -109.613109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.613109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.613109 (E_RNA)
where:
Base-Base interactions energy: -39.709
where: short stacking energy: -37.099
Base-Backbone interact. energy: -0.199
local terms energy: -69.705532
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -1.174
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: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -332.853228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.853228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.853228 (E_RNA)
where:
Base-Base interactions energy: -215.568
where: short stacking energy: -100.966
Base-Backbone interact. energy: -0.169
local terms energy: -117.116253
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -25.792
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: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -365.014223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.014223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.014223 (E_RNA)
where:
Base-Base interactions energy: -234.950
where: short stacking energy: -100.021
Base-Backbone interact. energy: -0.056
local terms energy: -130.007411
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -25.088
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -315.298419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.298419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.298419 (E_RNA)
where:
Base-Base interactions energy: -196.719
where: short stacking energy: -102.088
Base-Backbone interact. energy: -0.474
local terms energy: -118.105714
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -31.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -290.341977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.341977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.341977 (E_RNA)
where:
Base-Base interactions energy: -184.495
where: short stacking energy: -90.090
Base-Backbone interact. energy: -0.205
local terms energy: -105.642416
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -255.709916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.709916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.709916 (E_RNA)
where:
Base-Base interactions energy: -156.945
where: short stacking energy: -88.897
Base-Backbone interact. energy: -0.042
local terms energy: -98.723350
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -243.734202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.734202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.734202 (E_RNA)
where:
Base-Base interactions energy: -139.303
where: short stacking energy: -71.940
Base-Backbone interact. energy: -0.240
local terms energy: -104.191358
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -26.311
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -237.050540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.050540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.050540 (E_RNA)
where:
Base-Base interactions energy: -140.131
where: short stacking energy: -72.395
Base-Backbone interact. energy: 1.275
local terms energy: -98.194911
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -13.857
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: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -230.208906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.208906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.208906 (E_RNA)
where:
Base-Base interactions energy: -127.873
where: short stacking energy: -65.643
Base-Backbone interact. energy: 1.950
local terms energy: -104.285696
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -217.644016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.644016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.644016 (E_RNA)
where:
Base-Base interactions energy: -134.692
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.717
local terms energy: -82.235325
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -23.577
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -12.091
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: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -115.479276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.479276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.479276 (E_RNA)
where:
Base-Base interactions energy: -48.802
where: short stacking energy: -48.361
Base-Backbone interact. energy: -1.005
local terms energy: -65.672020
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -5.394
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: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -359.036234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.036234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.036234 (E_RNA)
where:
Base-Base interactions energy: -238.725
where: short stacking energy: -109.008
Base-Backbone interact. energy: -0.053
local terms energy: -120.258418
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -27.730
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -30.956
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: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -320.001322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.001322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.001322 (E_RNA)
where:
Base-Base interactions energy: -214.416
where: short stacking energy: -103.056
Base-Backbone interact. energy: -0.107
local terms energy: -105.478353
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -310.767998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.767998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.767998 (E_RNA)
where:
Base-Base interactions energy: -199.626
where: short stacking energy: -99.345
Base-Backbone interact. energy: -0.163
local terms energy: -110.979125
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -24.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -295.666200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.666200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.666200 (E_RNA)
where:
Base-Base interactions energy: -180.280
where: short stacking energy: -91.914
Base-Backbone interact. energy: -0.045
local terms energy: -115.341078
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -27.650
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: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -256.602577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.602577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.602577 (E_RNA)
where:
Base-Base interactions energy: -163.809
where: short stacking energy: -73.615
Base-Backbone interact. energy: -0.098
local terms energy: -92.695344
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -252.827432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.827432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.827432 (E_RNA)
where:
Base-Base interactions energy: -158.470
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.078
local terms energy: -94.279610
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -26.151
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -232.168732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.168732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.168732 (E_RNA)
where:
Base-Base interactions energy: -132.812
where: short stacking energy: -67.566
Base-Backbone interact. energy: -0.004
local terms energy: -99.352662
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -16.655
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: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -219.087374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.087374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.087374 (E_RNA)
where:
Base-Base interactions energy: -129.381
where: short stacking energy: -65.303
Base-Backbone interact. energy: 0.486
local terms energy: -90.192457
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -212.348655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.348655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.348655 (E_RNA)
where:
Base-Base interactions energy: -136.463
where: short stacking energy: -70.724
Base-Backbone interact. energy: -0.427
local terms energy: -75.459158
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -14.123
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: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -154.724160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.724160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.724160 (E_RNA)
where:
Base-Base interactions energy: -88.242
where: short stacking energy: -41.932
Base-Backbone interact. energy: 0.749
local terms energy: -67.231081
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -360.141822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.141822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.141822 (E_RNA)
where:
Base-Base interactions energy: -240.369
where: short stacking energy: -108.153
Base-Backbone interact. energy: -0.159
local terms energy: -119.614286
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -31.056
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: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -343.060220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.060220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.060220 (E_RNA)
where:
Base-Base interactions energy: -221.195
where: short stacking energy: -115.979
Base-Backbone interact. energy: 0.048
local terms energy: -121.913254
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -25.525
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -35.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -310.014516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.014516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.014516 (E_RNA)
where:
Base-Base interactions energy: -196.258
where: short stacking energy: -94.539
Base-Backbone interact. energy: -0.145
local terms energy: -113.611347
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -29.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -307.385604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.385604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.385604 (E_RNA)
where:
Base-Base interactions energy: -199.459
where: short stacking energy: -85.856
Base-Backbone interact. energy: 0.268
local terms energy: -108.194888
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -253.027668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.027668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.027668 (E_RNA)
where:
Base-Base interactions energy: -151.822
where: short stacking energy: -80.443
Base-Backbone interact. energy: -0.137
local terms energy: -101.069252
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -23.874
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: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -255.238046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.238046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.238046 (E_RNA)
where:
Base-Base interactions energy: -160.872
where: short stacking energy: -85.886
Base-Backbone interact. energy: -0.045
local terms energy: -94.320561
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -16.887
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: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -224.055874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.055874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.055874 (E_RNA)
where:
Base-Base interactions energy: -125.199
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.946
local terms energy: -97.910559
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -11.546
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: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -238.005212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.005212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.005212 (E_RNA)
where:
Base-Base interactions energy: -150.903
where: short stacking energy: -73.640
Base-Backbone interact. energy: 0.703
local terms energy: -87.805396
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -19.087
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: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -202.484327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.484327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.484327 (E_RNA)
where:
Base-Base interactions energy: -114.096
where: short stacking energy: -55.946
Base-Backbone interact. energy: 0.892
local terms energy: -89.280092
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -13.613
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: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -165.551555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.551555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.551555 (E_RNA)
where:
Base-Base interactions energy: -98.404
where: short stacking energy: -38.714
Base-Backbone interact. energy: -1.064
local terms energy: -66.083216
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.551
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: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -365.295307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.295307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.295307 (E_RNA)
where:
Base-Base interactions energy: -241.579
where: short stacking energy: -116.000
Base-Backbone interact. energy: 0.841
local terms energy: -124.556868
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -34.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -330.504592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.504592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.504592 (E_RNA)
where:
Base-Base interactions energy: -213.846
where: short stacking energy: -101.073
Base-Backbone interact. energy: -0.129
local terms energy: -116.529223
where:
bonds (distance) C4'-P energy: -26.167
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -28.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -312.305383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.305383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.305383 (E_RNA)
where:
Base-Base interactions energy: -196.987
where: short stacking energy: -97.249
Base-Backbone interact. energy: -0.132
local terms energy: -115.186034
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -26.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -297.423192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.423192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.423192 (E_RNA)
where:
Base-Base interactions energy: -185.511
where: short stacking energy: -89.627
Base-Backbone interact. energy: 0.282
local terms energy: -112.194248
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -25.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -253.887316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.887316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.887316 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -72.625
Base-Backbone interact. energy: -0.228
local terms energy: -100.876603
where:
bonds (distance) C4'-P energy: -24.329
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -19.958
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: 216
Temperature: 1.150000
Total energy: -219.954595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.954595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.954595 (E_RNA)
where:
Base-Base interactions energy: -125.488
where: short stacking energy: -62.780
Base-Backbone interact. energy: 0.123
local terms energy: -94.589357
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -239.525210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.525210 (E_RNA)
where:
Base-Base interactions energy: -149.464
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.171
local terms energy: -89.890576
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -213.694391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.694391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.694391 (E_RNA)
where:
Base-Base interactions energy: -115.780
where: short stacking energy: -57.961
Base-Backbone interact. energy: -0.215
local terms energy: -97.699366
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -26.905
flat angles P-C4'-P energy: -15.257
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: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -191.199628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.199628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.199628 (E_RNA)
where:
Base-Base interactions energy: -103.797
where: short stacking energy: -47.641
Base-Backbone interact. energy: -0.196
local terms energy: -87.206910
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -99.341705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.341705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.341705 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -21.271
Base-Backbone interact. energy: -0.824
local terms energy: -60.871452
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: 8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -360.643248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.643248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.643248 (E_RNA)
where:
Base-Base interactions energy: -237.763
where: short stacking energy: -108.669
Base-Backbone interact. energy: -0.171
local terms energy: -122.710035
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -32.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -339.671169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.671169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.671169 (E_RNA)
where:
Base-Base interactions energy: -222.252
where: short stacking energy: -107.051
Base-Backbone interact. energy: -0.622
local terms energy: -116.797201
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -32.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -299.583039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.583039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.583039 (E_RNA)
where:
Base-Base interactions energy: -188.573
where: short stacking energy: -89.312
Base-Backbone interact. energy: -1.022
local terms energy: -109.987758
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -255.746714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.746714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.746714 (E_RNA)
where:
Base-Base interactions energy: -147.744
where: short stacking energy: -75.171
Base-Backbone interact. energy: -0.153
local terms energy: -107.849795
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -294.048625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.048625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.048625 (E_RNA)
where:
Base-Base interactions energy: -187.361
where: short stacking energy: -90.714
Base-Backbone interact. energy: -0.245
local terms energy: -106.442319
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -26.673
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: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -245.278306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.278306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.278306 (E_RNA)
where:
Base-Base interactions energy: -152.716
where: short stacking energy: -66.098
Base-Backbone interact. energy: 0.015
local terms energy: -92.577165
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -230.860925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.860925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.860925 (E_RNA)
where:
Base-Base interactions energy: -136.485
where: short stacking energy: -59.782
Base-Backbone interact. energy: -0.579
local terms energy: -93.797656
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -199.408349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.408349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.408349 (E_RNA)
where:
Base-Base interactions energy: -109.995
where: short stacking energy: -52.732
Base-Backbone interact. energy: -0.706
local terms energy: -88.707307
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -208.175962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.175962 (E_RNA)
where:
Base-Base interactions energy: -126.001
where: short stacking energy: -52.117
Base-Backbone interact. energy: -0.001
local terms energy: -82.173918
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -107.582677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.582677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.582677 (E_RNA)
where:
Base-Base interactions energy: -42.582
where: short stacking energy: -26.772
Base-Backbone interact. energy: -0.204
local terms energy: -64.796281
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -340.583276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.583276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.583276 (E_RNA)
where:
Base-Base interactions energy: -221.048
where: short stacking energy: -111.917
Base-Backbone interact. energy: -0.009
local terms energy: -119.525489
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -34.047
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: 218
Temperature: 0.950000
Total energy: -358.174925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.174925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.174925 (E_RNA)
where:
Base-Base interactions energy: -236.141
where: short stacking energy: -110.128
Base-Backbone interact. energy: -0.639
local terms energy: -121.395268
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -31.550
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: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -316.155234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.155234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.155234 (E_RNA)
where:
Base-Base interactions energy: -203.061
where: short stacking energy: -87.774
Base-Backbone interact. energy: -0.183
local terms energy: -112.911398
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -23.854
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -26.802
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: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -285.635481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.635481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.635481 (E_RNA)
where:
Base-Base interactions energy: -178.139
where: short stacking energy: -86.927
Base-Backbone interact. energy: 2.245
local terms energy: -109.741987
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -22.897
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: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -284.586816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.586816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.586816 (E_RNA)
where:
Base-Base interactions energy: -174.242
where: short stacking energy: -85.306
Base-Backbone interact. energy: -0.273
local terms energy: -110.072070
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -28.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -239.900964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.900964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.900964 (E_RNA)
where:
Base-Base interactions energy: -145.011
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.176
local terms energy: -94.713968
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -241.151945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.151945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.151945 (E_RNA)
where:
Base-Base interactions energy: -158.892
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.435
local terms energy: -81.824946
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -12.929
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: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -219.165325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.165325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.165325 (E_RNA)
where:
Base-Base interactions energy: -125.380
where: short stacking energy: -50.636
Base-Backbone interact. energy: -0.193
local terms energy: -93.592222
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -211.442504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.442504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.442504 (E_RNA)
where:
Base-Base interactions energy: -124.547
where: short stacking energy: -56.798
Base-Backbone interact. energy: -0.115
local terms energy: -86.780152
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -116.053355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.053355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.053355 (E_RNA)
where:
Base-Base interactions energy: -40.210
where: short stacking energy: -27.571
Base-Backbone interact. energy: -0.061
local terms energy: -75.782545
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -13.822
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: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -339.597028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.597028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.597028 (E_RNA)
where:
Base-Base interactions energy: -224.938
where: short stacking energy: -120.894
Base-Backbone interact. energy: -0.423
local terms energy: -114.236042
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -33.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -358.341003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.341003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.341003 (E_RNA)
where:
Base-Base interactions energy: -232.120
where: short stacking energy: -109.702
Base-Backbone interact. energy: -0.108
local terms energy: -126.113951
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -36.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -309.505773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.505773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.505773 (E_RNA)
where:
Base-Base interactions energy: -196.135
where: short stacking energy: -92.506
Base-Backbone interact. energy: -0.144
local terms energy: -113.226821
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -26.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -289.699446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.699446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.699446 (E_RNA)
where:
Base-Base interactions energy: -179.151
where: short stacking energy: -91.936
Base-Backbone interact. energy: -0.076
local terms energy: -110.472610
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -27.976
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: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -264.090636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.090636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.090636 (E_RNA)
where:
Base-Base interactions energy: -169.020
where: short stacking energy: -87.323
Base-Backbone interact. energy: -1.383
local terms energy: -93.686791
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -19.566
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: 219
Temperature: 1.150000
Total energy: -274.724105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.724105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.724105 (E_RNA)
where:
Base-Base interactions energy: -176.066
where: short stacking energy: -76.583
Base-Backbone interact. energy: -0.293
local terms energy: -98.364733
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -20.919
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: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -220.221617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.221617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.221617 (E_RNA)
where:
Base-Base interactions energy: -128.343
where: short stacking energy: -65.037
Base-Backbone interact. energy: 0.797
local terms energy: -92.675109
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -9.691
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: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -230.493391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.493391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.493391 (E_RNA)
where:
Base-Base interactions energy: -138.936
where: short stacking energy: -74.028
Base-Backbone interact. energy: -0.320
local terms energy: -91.236572
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -23.238
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: 219
Temperature: 1.300000
Total energy: -214.741332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.741332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.741332 (E_RNA)
where:
Base-Base interactions energy: -126.771
where: short stacking energy: -52.469
Base-Backbone interact. energy: 0.913
local terms energy: -88.883002
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -109.828097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.828097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.828097 (E_RNA)
where:
Base-Base interactions energy: -45.906
where: short stacking energy: -38.957
Base-Backbone interact. energy: -0.149
local terms energy: -63.773603
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: 1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -353.836302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.836302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.836302 (E_RNA)
where:
Base-Base interactions energy: -235.555
where: short stacking energy: -104.766
Base-Backbone interact. energy: -0.481
local terms energy: -117.799820
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -32.760
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: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -308.888678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.888678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.888678 (E_RNA)
where:
Base-Base interactions energy: -199.340
where: short stacking energy: -98.971
Base-Backbone interact. energy: -0.066
local terms energy: -109.483473
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -29.218
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: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -312.366641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.366641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.366641 (E_RNA)
where:
Base-Base interactions energy: -200.469
where: short stacking energy: -90.089
Base-Backbone interact. energy: -0.225
local terms energy: -111.672508
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -26.318
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: 4, replica: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -288.662913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.662913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.662913 (E_RNA)
where:
Base-Base interactions energy: -184.328
where: short stacking energy: -94.423
Base-Backbone interact. energy: -0.106
local terms energy: -104.229360
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -25.190
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: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -247.579876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.579876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.579876 (E_RNA)
where:
Base-Base interactions energy: -142.106
where: short stacking energy: -74.804
Base-Backbone interact. energy: -0.246
local terms energy: -105.227548
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -18.512
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: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -248.011729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.011729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.011729 (E_RNA)
where:
Base-Base interactions energy: -145.200
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.172
local terms energy: -102.640489
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -225.184928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.184928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.184928 (E_RNA)
where:
Base-Base interactions energy: -139.851
where: short stacking energy: -77.643
Base-Backbone interact. energy: -0.019
local terms energy: -85.314458
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -5.777
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: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -222.203620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.203620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.203620 (E_RNA)
where:
Base-Base interactions energy: -138.236
where: short stacking energy: -69.966
Base-Backbone interact. energy: -1.144
local terms energy: -82.822998
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -189.083957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.083957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.083957 (E_RNA)
where:
Base-Base interactions energy: -109.882
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.066
local terms energy: -79.135796
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -107.453284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.453284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.453284 (E_RNA)
where:
Base-Base interactions energy: -53.463
where: short stacking energy: -45.344
Base-Backbone interact. energy: -1.006
local terms energy: -52.984301
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -3.535
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: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -378.356570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.356570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.356570 (E_RNA)
where:
Base-Base interactions energy: -257.461
where: short stacking energy: -110.494
Base-Backbone interact. energy: 1.470
local terms energy: -122.364980
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -32.118
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: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -312.142775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.142775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.142775 (E_RNA)
where:
Base-Base interactions energy: -200.339
where: short stacking energy: -97.259
Base-Backbone interact. energy: -0.039
local terms energy: -111.764606
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -31.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -307.775350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.775350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.775350 (E_RNA)
where:
Base-Base interactions energy: -207.324
where: short stacking energy: -106.769
Base-Backbone interact. energy: 0.605
local terms energy: -101.056335
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -30.516
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: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -307.941215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.941215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.941215 (E_RNA)
where:
Base-Base interactions energy: -183.115
where: short stacking energy: -97.887
Base-Backbone interact. energy: -0.555
local terms energy: -124.271231
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -27.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -247.749828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.749828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.749828 (E_RNA)
where:
Base-Base interactions energy: -159.637
where: short stacking energy: -70.112
Base-Backbone interact. energy: -2.274
local terms energy: -85.838788
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -11.365
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: 221
Temperature: 1.150000
Total energy: -245.425963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.425963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.425963 (E_RNA)
where:
Base-Base interactions energy: -145.845
where: short stacking energy: -75.995
Base-Backbone interact. energy: -0.640
local terms energy: -98.940306
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -228.482827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.482827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.482827 (E_RNA)
where:
Base-Base interactions energy: -137.363
where: short stacking energy: -60.648
Base-Backbone interact. energy: -0.729
local terms energy: -90.390094
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -207.380147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.380147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.380147 (E_RNA)
where:
Base-Base interactions energy: -126.284
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.597
local terms energy: -80.499776
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -214.675992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.675992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.675992 (E_RNA)
where:
Base-Base interactions energy: -129.604
where: short stacking energy: -48.316
Base-Backbone interact. energy: -0.286
local terms energy: -84.785375
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -9.331
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: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -108.536624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.536624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.536624 (E_RNA)
where:
Base-Base interactions energy: -45.128
where: short stacking energy: -18.238
Base-Backbone interact. energy: -0.429
local terms energy: -62.979548
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -366.759181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.759181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.759181 (E_RNA)
where:
Base-Base interactions energy: -244.215
where: short stacking energy: -108.703
Base-Backbone interact. energy: -0.110
local terms energy: -122.434234
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -34.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -326.198725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.198725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.198725 (E_RNA)
where:
Base-Base interactions energy: -211.850
where: short stacking energy: -102.957
Base-Backbone interact. energy: -0.159
local terms energy: -114.189181
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -29.188
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: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -309.067770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.067770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.067770 (E_RNA)
where:
Base-Base interactions energy: -195.496
where: short stacking energy: -103.206
Base-Backbone interact. energy: -0.034
local terms energy: -113.538176
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -23.560
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -28.093
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: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -293.846815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.846815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.846815 (E_RNA)
where:
Base-Base interactions energy: -198.010
where: short stacking energy: -86.106
Base-Backbone interact. energy: -0.101
local terms energy: -95.735496
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -252.933078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.933078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.933078 (E_RNA)
where:
Base-Base interactions energy: -171.740
where: short stacking energy: -91.085
Base-Backbone interact. energy: -0.053
local terms energy: -81.140422
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -21.825
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: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -239.454360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.454360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.454360 (E_RNA)
where:
Base-Base interactions energy: -149.036
where: short stacking energy: -74.245
Base-Backbone interact. energy: -0.304
local terms energy: -90.114339
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -222.252573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.252573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.252573 (E_RNA)
where:
Base-Base interactions energy: -142.106
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.236
local terms energy: -79.910500
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -9.451
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: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -202.573683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.573683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.573683 (E_RNA)
where:
Base-Base interactions energy: -116.423
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.276
local terms energy: -85.874493
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -217.880588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.880588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.880588 (E_RNA)
where:
Base-Base interactions energy: -140.612
where: short stacking energy: -53.195
Base-Backbone interact. energy: 1.832
local terms energy: -79.100962
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -8.341
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: 222
Temperature: 1.350000
Total energy: -110.656874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.656874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.656874 (E_RNA)
where:
Base-Base interactions energy: -44.286
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.190
local terms energy: -66.181120
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -352.728955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.728955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.728955 (E_RNA)
where:
Base-Base interactions energy: -230.868
where: short stacking energy: -102.527
Base-Backbone interact. energy: -0.032
local terms energy: -121.829166
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -32.959
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -340.913744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.913744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.913744 (E_RNA)
where:
Base-Base interactions energy: -230.425
where: short stacking energy: -101.019
Base-Backbone interact. energy: -0.204
local terms energy: -110.284519
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -26.279
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: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -315.460152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.460152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.460152 (E_RNA)
where:
Base-Base interactions energy: -203.806
where: short stacking energy: -97.712
Base-Backbone interact. energy: -0.113
local terms energy: -111.540740
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -301.733518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.733518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.733518 (E_RNA)
where:
Base-Base interactions energy: -202.807
where: short stacking energy: -92.047
Base-Backbone interact. energy: -0.470
local terms energy: -98.457171
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -15.198
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: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -256.914468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.914468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.914468 (E_RNA)
where:
Base-Base interactions energy: -151.393
where: short stacking energy: -80.701
Base-Backbone interact. energy: -0.180
local terms energy: -105.341550
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -21.068
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: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -245.925605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.925605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.925605 (E_RNA)
where:
Base-Base interactions energy: -141.163
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.145
local terms energy: -104.618104
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -254.001890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.001890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.001890 (E_RNA)
where:
Base-Base interactions energy: -163.174
where: short stacking energy: -87.396
Base-Backbone interact. energy: 0.469
local terms energy: -91.297283
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -231.832600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.832600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.832600 (E_RNA)
where:
Base-Base interactions energy: -139.112
where: short stacking energy: -67.668
Base-Backbone interact. energy: 2.621
local terms energy: -95.341944
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -198.061947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.061947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.061947 (E_RNA)
where:
Base-Base interactions energy: -125.081
where: short stacking energy: -56.204
Base-Backbone interact. energy: -0.786
local terms energy: -72.195239
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -12.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -117.342631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.342631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.342631 (E_RNA)
where:
Base-Base interactions energy: -29.437
where: short stacking energy: -28.973
Base-Backbone interact. energy: -0.475
local terms energy: -87.430520
where:
bonds (distance) C4'-P energy: -24.399
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -368.138700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.138700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.138700 (E_RNA)
where:
Base-Base interactions energy: -248.891
where: short stacking energy: -113.389
Base-Backbone interact. energy: -0.177
local terms energy: -119.071397
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -35.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -341.804127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.804127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.804127 (E_RNA)
where:
Base-Base interactions energy: -227.529
where: short stacking energy: -92.972
Base-Backbone interact. energy: -0.198
local terms energy: -114.077334
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -308.245814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.245814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.245814 (E_RNA)
where:
Base-Base interactions energy: -201.483
where: short stacking energy: -84.796
Base-Backbone interact. energy: 1.612
local terms energy: -108.374978
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -296.169454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.169454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.169454 (E_RNA)
where:
Base-Base interactions energy: -179.044
where: short stacking energy: -76.013
Base-Backbone interact. energy: -1.138
local terms energy: -115.987208
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -244.559113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.559113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.559113 (E_RNA)
where:
Base-Base interactions energy: -145.117
where: short stacking energy: -75.166
Base-Backbone interact. energy: -1.271
local terms energy: -98.171060
where:
bonds (distance) C4'-P energy: -21.773
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -233.989698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.989698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.989698 (E_RNA)
where:
Base-Base interactions energy: -138.587
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.240
local terms energy: -95.162156
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -11.839
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: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -237.212645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.212645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.212645 (E_RNA)
where:
Base-Base interactions energy: -146.682
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.506
local terms energy: -90.024819
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -239.203413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.203413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.203413 (E_RNA)
where:
Base-Base interactions energy: -142.873
where: short stacking energy: -68.045
Base-Backbone interact. energy: 1.355
local terms energy: -97.685936
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -209.868079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.868079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.868079 (E_RNA)
where:
Base-Base interactions energy: -124.291
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.376
local terms energy: -85.200272
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -12.244
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: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -123.069159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.069159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.069159 (E_RNA)
where:
Base-Base interactions energy: -66.031
where: short stacking energy: -36.501
Base-Backbone interact. energy: 0.174
local terms energy: -57.211842
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: 5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -367.418282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.418282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.418282 (E_RNA)
where:
Base-Base interactions energy: -254.175
where: short stacking energy: -114.755
Base-Backbone interact. energy: 0.036
local terms energy: -113.279087
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -27.074
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -34.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -303.788364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.788364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.788364 (E_RNA)
where:
Base-Base interactions energy: -199.325
where: short stacking energy: -88.038
Base-Backbone interact. energy: -0.438
local terms energy: -104.025004
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -340.977097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.977097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.977097 (E_RNA)
where:
Base-Base interactions energy: -221.697
where: short stacking energy: -97.986
Base-Backbone interact. energy: -0.162
local terms energy: -119.117471
where:
bonds (distance) C4'-P energy: -23.145
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -29.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -295.070806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.070806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.070806 (E_RNA)
where:
Base-Base interactions energy: -190.914
where: short stacking energy: -97.966
Base-Backbone interact. energy: -0.143
local terms energy: -104.013658
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -27.767
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: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -228.859369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.859369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.859369 (E_RNA)
where:
Base-Base interactions energy: -129.372
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.104
local terms energy: -99.384138
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -238.979062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.979062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.979062 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -76.723
Base-Backbone interact. energy: 0.432
local terms energy: -97.761854
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -15.835
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: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -233.951822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.951822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.951822 (E_RNA)
where:
Base-Base interactions energy: -141.742
where: short stacking energy: -59.550
Base-Backbone interact. energy: 0.244
local terms energy: -92.454518
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -204.826413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.826413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.826413 (E_RNA)
where:
Base-Base interactions energy: -124.686
where: short stacking energy: -60.988
Base-Backbone interact. energy: -0.423
local terms energy: -79.717013
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -221.073533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.073533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.073533 (E_RNA)
where:
Base-Base interactions energy: -134.526
where: short stacking energy: -70.240
Base-Backbone interact. energy: -0.134
local terms energy: -86.413871
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -117.408638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.408638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.408638 (E_RNA)
where:
Base-Base interactions energy: -57.884
where: short stacking energy: -29.640
Base-Backbone interact. energy: 0.598
local terms energy: -60.122908
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: 8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -373.554673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.554673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.554673 (E_RNA)
where:
Base-Base interactions energy: -243.394
where: short stacking energy: -112.376
Base-Backbone interact. energy: -0.154
local terms energy: -130.006750
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -37.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -311.622915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.622915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.622915 (E_RNA)
where:
Base-Base interactions energy: -196.390
where: short stacking energy: -102.629
Base-Backbone interact. energy: -0.078
local terms energy: -115.155414
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -29.576
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: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -330.467336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.467336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.467336 (E_RNA)
where:
Base-Base interactions energy: -216.561
where: short stacking energy: -95.938
Base-Backbone interact. energy: 0.021
local terms energy: -113.927252
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -25.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -302.340317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.340317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.340317 (E_RNA)
where:
Base-Base interactions energy: -193.274
where: short stacking energy: -98.433
Base-Backbone interact. energy: -0.110
local terms energy: -108.956780
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -266.621338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.621338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.621338 (E_RNA)
where:
Base-Base interactions energy: -170.459
where: short stacking energy: -74.509
Base-Backbone interact. energy: -0.165
local terms energy: -95.997669
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -228.535181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.535181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.535181 (E_RNA)
where:
Base-Base interactions energy: -131.440
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.012
local terms energy: -97.083049
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -216.358097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.358097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.358097 (E_RNA)
where:
Base-Base interactions energy: -135.136
where: short stacking energy: -68.741
Base-Backbone interact. energy: -0.390
local terms energy: -80.832527
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -217.076546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.076546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.076546 (E_RNA)
where:
Base-Base interactions energy: -119.167
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.042
local terms energy: -97.868181
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -10.281
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: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -184.660867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.660867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.660867 (E_RNA)
where:
Base-Base interactions energy: -102.746
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.379
local terms energy: -81.535741
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -6.611
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: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -102.012472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.012472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.012472 (E_RNA)
where:
Base-Base interactions energy: -28.169
where: short stacking energy: -27.750
Base-Backbone interact. energy: -0.388
local terms energy: -73.455604
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: 1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -367.032591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.032591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.032591 (E_RNA)
where:
Base-Base interactions energy: -250.497
where: short stacking energy: -113.585
Base-Backbone interact. energy: -0.150
local terms energy: -116.384627
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -31.385
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: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -334.609074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.609074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.609074 (E_RNA)
where:
Base-Base interactions energy: -213.972
where: short stacking energy: -95.087
Base-Backbone interact. energy: -0.092
local terms energy: -120.544674
where:
bonds (distance) C4'-P energy: -24.237
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -27.353
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -28.904
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: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -321.436516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.436516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.436516 (E_RNA)
where:
Base-Base interactions energy: -213.492
where: short stacking energy: -102.063
Base-Backbone interact. energy: -0.097
local terms energy: -107.846934
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -29.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -273.227191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.227191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.227191 (E_RNA)
where:
Base-Base interactions energy: -175.739
where: short stacking energy: -83.331
Base-Backbone interact. energy: 0.117
local terms energy: -97.604899
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -23.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -286.823664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.823664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.823664 (E_RNA)
where:
Base-Base interactions energy: -193.269
where: short stacking energy: -94.525
Base-Backbone interact. energy: 1.322
local terms energy: -94.876447
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -28.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -255.620176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.620176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.620176 (E_RNA)
where:
Base-Base interactions energy: -157.720
where: short stacking energy: -81.553
Base-Backbone interact. energy: -0.778
local terms energy: -97.122960
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -237.086260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.086260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.086260 (E_RNA)
where:
Base-Base interactions energy: -149.759
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.177
local terms energy: -87.149765
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -17.619
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: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -233.742955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.742955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.742955 (E_RNA)
where:
Base-Base interactions energy: -153.699
where: short stacking energy: -68.616
Base-Backbone interact. energy: -0.114
local terms energy: -79.929618
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -13.455
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: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -209.810438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.810438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.810438 (E_RNA)
where:
Base-Base interactions energy: -129.270
where: short stacking energy: -50.309
Base-Backbone interact. energy: -0.741
local terms energy: -79.798822
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -26.057
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -114.183408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.183408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.183408 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -29.322
Base-Backbone interact. energy: -0.330
local terms energy: -79.665051
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -362.923308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.923308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.923308 (E_RNA)
where:
Base-Base interactions energy: -235.162
where: short stacking energy: -112.448
Base-Backbone interact. energy: -0.248
local terms energy: -127.513474
where:
bonds (distance) C4'-P energy: -24.919
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -36.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -324.695573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.695573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.695573 (E_RNA)
where:
Base-Base interactions energy: -207.273
where: short stacking energy: -105.403
Base-Backbone interact. energy: -0.085
local terms energy: -117.338115
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -24.527
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -33.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -329.932465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.932465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.932465 (E_RNA)
where:
Base-Base interactions energy: -213.684
where: short stacking energy: -106.982
Base-Backbone interact. energy: -0.462
local terms energy: -115.785680
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -30.569
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: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -271.462359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.462359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.462359 (E_RNA)
where:
Base-Base interactions energy: -177.219
where: short stacking energy: -95.528
Base-Backbone interact. energy: -0.140
local terms energy: -94.102665
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -257.345639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.345639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.345639 (E_RNA)
where:
Base-Base interactions energy: -163.023
where: short stacking energy: -71.244
Base-Backbone interact. energy: -1.242
local terms energy: -93.081043
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -280.500961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.500961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.500961 (E_RNA)
where:
Base-Base interactions energy: -175.056
where: short stacking energy: -76.673
Base-Backbone interact. energy: 0.585
local terms energy: -106.030203
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -29.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -250.692752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.692752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.692752 (E_RNA)
where:
Base-Base interactions energy: -164.703
where: short stacking energy: -72.925
Base-Backbone interact. energy: -1.305
local terms energy: -84.684552
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -1.584
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -216.732569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.732569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.732569 (E_RNA)
where:
Base-Base interactions energy: -133.779
where: short stacking energy: -69.927
Base-Backbone interact. energy: 1.804
local terms energy: -84.756792
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -173.249716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.249716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.249716 (E_RNA)
where:
Base-Base interactions energy: -77.716
where: short stacking energy: -39.185
Base-Backbone interact. energy: 0.288
local terms energy: -95.821867
where:
bonds (distance) C4'-P energy: -26.088
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -10.818
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: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -125.715270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.715270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.715270 (E_RNA)
where:
Base-Base interactions energy: -58.394
where: short stacking energy: -41.168
Base-Backbone interact. energy: -0.348
local terms energy: -66.973395
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -10.253
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: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -370.464071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.464071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.464071 (E_RNA)
where:
Base-Base interactions energy: -252.019
where: short stacking energy: -114.897
Base-Backbone interact. energy: -0.973
local terms energy: -117.471560
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -23.622
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -35.864
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: 229
Temperature: 0.950000
Total energy: -317.844547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.844547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.844547 (E_RNA)
where:
Base-Base interactions energy: -213.945
where: short stacking energy: -87.641
Base-Backbone interact. energy: -0.104
local terms energy: -103.796211
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -322.518291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.518291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.518291 (E_RNA)
where:
Base-Base interactions energy: -209.061
where: short stacking energy: -109.262
Base-Backbone interact. energy: -0.058
local terms energy: -113.399750
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -31.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -279.455522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.455522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.455522 (E_RNA)
where:
Base-Base interactions energy: -177.007
where: short stacking energy: -90.900
Base-Backbone interact. energy: -0.747
local terms energy: -101.701560
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -25.314
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: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -260.340925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.340925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.340925 (E_RNA)
where:
Base-Base interactions energy: -154.215
where: short stacking energy: -80.549
Base-Backbone interact. energy: 0.355
local terms energy: -106.481087
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -19.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -287.099441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.099441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.099441 (E_RNA)
where:
Base-Base interactions energy: -177.728
where: short stacking energy: -79.584
Base-Backbone interact. energy: -0.004
local terms energy: -109.367718
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -240.931165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.931165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.931165 (E_RNA)
where:
Base-Base interactions energy: -160.262
where: short stacking energy: -74.448
Base-Backbone interact. energy: -0.114
local terms energy: -80.554596
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -187.464127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.464127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.464127 (E_RNA)
where:
Base-Base interactions energy: -107.645
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.607
local terms energy: -79.212103
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -213.563830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.563830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.563830 (E_RNA)
where:
Base-Base interactions energy: -134.356
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.728
local terms energy: -78.479851
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -10.873
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: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -128.905345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.905345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.905345 (E_RNA)
where:
Base-Base interactions energy: -42.975
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.309
local terms energy: -85.621082
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -364.045571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.045571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.045571 (E_RNA)
where:
Base-Base interactions energy: -240.770
where: short stacking energy: -106.251
Base-Backbone interact. energy: -0.526
local terms energy: -122.749886
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -33.589
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: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -332.389512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.389512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.389512 (E_RNA)
where:
Base-Base interactions energy: -219.402
where: short stacking energy: -100.853
Base-Backbone interact. energy: -1.436
local terms energy: -111.551451
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -26.810
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -25.204
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: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -302.246636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.246636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.246636 (E_RNA)
where:
Base-Base interactions energy: -198.842
where: short stacking energy: -91.058
Base-Backbone interact. energy: -0.102
local terms energy: -103.301893
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -22.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -276.288560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.288560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.288560 (E_RNA)
where:
Base-Base interactions energy: -173.210
where: short stacking energy: -89.921
Base-Backbone interact. energy: 0.870
local terms energy: -103.948287
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -288.243950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.243950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.243950 (E_RNA)
where:
Base-Base interactions energy: -180.953
where: short stacking energy: -95.858
Base-Backbone interact. energy: -0.111
local terms energy: -107.180086
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -29.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -247.938705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.938705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.938705 (E_RNA)
where:
Base-Base interactions energy: -153.627
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.142
local terms energy: -94.169971
where:
bonds (distance) C4'-P energy: -25.773
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -197.288577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.288577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.288577 (E_RNA)
where:
Base-Base interactions energy: -114.845
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.393
local terms energy: -82.050312
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -13.194
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: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -219.178746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.178746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.178746 (E_RNA)
where:
Base-Base interactions energy: -144.410
where: short stacking energy: -63.898
Base-Backbone interact. energy: 0.515
local terms energy: -75.284026
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -8.211
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: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -240.239375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.239375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.239375 (E_RNA)
where:
Base-Base interactions energy: -148.718
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.406
local terms energy: -91.114613
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -97.631509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.631509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.631509 (E_RNA)
where:
Base-Base interactions energy: -30.644
where: short stacking energy: -26.879
Base-Backbone interact. energy: 1.775
local terms energy: -68.762624
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: 1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -360.825144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.825144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.825144 (E_RNA)
where:
Base-Base interactions energy: -236.650
where: short stacking energy: -111.172
Base-Backbone interact. energy: -0.217
local terms energy: -123.957872
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -27.276
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -37.706
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: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -319.954639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.954639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.954639 (E_RNA)
where:
Base-Base interactions energy: -203.130
where: short stacking energy: -104.923
Base-Backbone interact. energy: -0.250
local terms energy: -116.574170
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -30.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -317.944312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.944312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.944312 (E_RNA)
where:
Base-Base interactions energy: -212.265
where: short stacking energy: -101.683
Base-Backbone interact. energy: -0.169
local terms energy: -105.510331
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -298.629047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.629047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.629047 (E_RNA)
where:
Base-Base interactions energy: -186.092
where: short stacking energy: -95.373
Base-Backbone interact. energy: -0.126
local terms energy: -112.411271
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -28.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -277.584590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.584590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.584590 (E_RNA)
where:
Base-Base interactions energy: -176.499
where: short stacking energy: -75.640
Base-Backbone interact. energy: 0.434
local terms energy: -101.518846
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -18.235
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: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -253.506141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.506141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.506141 (E_RNA)
where:
Base-Base interactions energy: -155.372
where: short stacking energy: -69.582
Base-Backbone interact. energy: 0.252
local terms energy: -98.386423
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -225.889882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.889882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.889882 (E_RNA)
where:
Base-Base interactions energy: -138.640
where: short stacking energy: -71.216
Base-Backbone interact. energy: 1.526
local terms energy: -88.775410
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -244.219996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.219996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.219996 (E_RNA)
where:
Base-Base interactions energy: -155.698
where: short stacking energy: -72.082
Base-Backbone interact. energy: -0.574
local terms energy: -87.947998
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -12.324
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: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -196.583476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.583476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.583476 (E_RNA)
where:
Base-Base interactions energy: -101.712
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.137
local terms energy: -94.735016
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -8.832
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: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -114.453017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.453017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.453017 (E_RNA)
where:
Base-Base interactions energy: -52.218
where: short stacking energy: -52.218
Base-Backbone interact. energy: 0.911
local terms energy: -63.146271
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -368.831063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.831063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.831063 (E_RNA)
where:
Base-Base interactions energy: -241.179
where: short stacking energy: -105.347
Base-Backbone interact. energy: -0.245
local terms energy: -127.407639
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -36.882
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: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -337.581776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.581776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.581776 (E_RNA)
where:
Base-Base interactions energy: -216.864
where: short stacking energy: -108.154
Base-Backbone interact. energy: -0.466
local terms energy: -120.252302
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -32.642
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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -309.626345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.626345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.626345 (E_RNA)
where:
Base-Base interactions energy: -198.135
where: short stacking energy: -90.703
Base-Backbone interact. energy: -0.455
local terms energy: -111.036476
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -23.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -313.145311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.145311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.145311 (E_RNA)
where:
Base-Base interactions energy: -196.359
where: short stacking energy: -94.292
Base-Backbone interact. energy: -0.215
local terms energy: -116.570661
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -32.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -263.402997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.402997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.402997 (E_RNA)
where:
Base-Base interactions energy: -163.758
where: short stacking energy: -70.316
Base-Backbone interact. energy: -0.220
local terms energy: -99.424572
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -11.404
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: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -245.405633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.405633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.405633 (E_RNA)
where:
Base-Base interactions energy: -149.849
where: short stacking energy: -75.690
Base-Backbone interact. energy: -0.334
local terms energy: -95.223016
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -232.437366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.437366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.437366 (E_RNA)
where:
Base-Base interactions energy: -145.633
where: short stacking energy: -77.312
Base-Backbone interact. energy: -0.045
local terms energy: -86.759597
where:
bonds (distance) C4'-P energy: -22.423
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -227.860182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.860182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.860182 (E_RNA)
where:
Base-Base interactions energy: -137.221
where: short stacking energy: -60.610
Base-Backbone interact. energy: -1.352
local terms energy: -89.287031
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -113.925190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.925190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.925190 (E_RNA)
where:
Base-Base interactions energy: -47.909
where: short stacking energy: -33.666
Base-Backbone interact. energy: 2.213
local terms energy: -68.229965
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -22.076
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -210.162846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.162846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.162846 (E_RNA)
where:
Base-Base interactions energy: -122.317
where: short stacking energy: -58.843
Base-Backbone interact. energy: -0.130
local terms energy: -87.715674
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -19.963
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: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -379.881061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.881061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.881061 (E_RNA)
where:
Base-Base interactions energy: -252.493
where: short stacking energy: -115.024
Base-Backbone interact. energy: -0.175
local terms energy: -127.212923
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -36.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -330.615980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.615980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.615980 (E_RNA)
where:
Base-Base interactions energy: -224.304
where: short stacking energy: -104.428
Base-Backbone interact. energy: -0.375
local terms energy: -105.937051
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -30.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -316.359137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.359137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.359137 (E_RNA)
where:
Base-Base interactions energy: -209.443
where: short stacking energy: -84.622
Base-Backbone interact. energy: -1.388
local terms energy: -105.527782
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -296.642363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.642363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.642363 (E_RNA)
where:
Base-Base interactions energy: -179.620
where: short stacking energy: -91.025
Base-Backbone interact. energy: -0.016
local terms energy: -117.006276
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -30.901
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: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -264.039048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.039048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.039048 (E_RNA)
where:
Base-Base interactions energy: -175.785
where: short stacking energy: -77.621
Base-Backbone interact. energy: -0.924
local terms energy: -87.329877
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -239.080156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.080156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.080156 (E_RNA)
where:
Base-Base interactions energy: -153.390
where: short stacking energy: -73.186
Base-Backbone interact. energy: 0.654
local terms energy: -86.343990
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -210.064476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.064476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.064476 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -50.432
Base-Backbone interact. energy: -1.148
local terms energy: -81.737816
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -4.332
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: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -234.533660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.533660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.533660 (E_RNA)
where:
Base-Base interactions energy: -155.737
where: short stacking energy: -69.545
Base-Backbone interact. energy: 0.791
local terms energy: -79.587016
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -119.303609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.303609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.303609 (E_RNA)
where:
Base-Base interactions energy: -43.043
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.085
local terms energy: -76.175965
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -12.159
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: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -212.407585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.407585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.407585 (E_RNA)
where:
Base-Base interactions energy: -130.720
where: short stacking energy: -64.025
Base-Backbone interact. energy: -0.050
local terms energy: -81.637663
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -11.778
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: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -373.051840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.051840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.051840 (E_RNA)
where:
Base-Base interactions energy: -244.539
where: short stacking energy: -108.823
Base-Backbone interact. energy: -0.169
local terms energy: -128.343876
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -29.220
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -36.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -330.046129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.046129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.046129 (E_RNA)
where:
Base-Base interactions energy: -215.492
where: short stacking energy: -105.173
Base-Backbone interact. energy: 1.082
local terms energy: -115.636439
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -30.190
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: 234
Temperature: 1.000000
Total energy: -311.653417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.653417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.653417 (E_RNA)
where:
Base-Base interactions energy: -203.150
where: short stacking energy: -97.729
Base-Backbone interact. energy: -0.129
local terms energy: -108.373815
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -29.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -329.944682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.944682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.944682 (E_RNA)
where:
Base-Base interactions energy: -211.533
where: short stacking energy: -90.870
Base-Backbone interact. energy: -1.070
local terms energy: -117.342167
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -27.097
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: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -240.546654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.546654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.546654 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -68.415
Base-Backbone interact. energy: -0.269
local terms energy: -98.291679
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -15.813
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: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -249.896782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.896782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.896782 (E_RNA)
where:
Base-Base interactions energy: -161.714
where: short stacking energy: -80.052
Base-Backbone interact. energy: 0.153
local terms energy: -88.335069
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -237.404932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.404932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.404932 (E_RNA)
where:
Base-Base interactions energy: -145.461
where: short stacking energy: -69.633
Base-Backbone interact. energy: 0.605
local terms energy: -92.548887
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -16.253
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: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -219.820032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.820032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.820032 (E_RNA)
where:
Base-Base interactions energy: -136.359
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.073
local terms energy: -83.387998
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -12.656
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: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -201.133309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.133309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.133309 (E_RNA)
where:
Base-Base interactions energy: -120.380
where: short stacking energy: -59.358
Base-Backbone interact. energy: -0.376
local terms energy: -80.376485
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -115.720955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.720955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.720955 (E_RNA)
where:
Base-Base interactions energy: -45.237
where: short stacking energy: -41.123
Base-Backbone interact. energy: -0.257
local terms energy: -70.226341
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -367.839453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.839453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.839453 (E_RNA)
where:
Base-Base interactions energy: -241.131
where: short stacking energy: -102.080
Base-Backbone interact. energy: -0.235
local terms energy: -126.474245
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -319.652978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.652978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.652978 (E_RNA)
where:
Base-Base interactions energy: -208.455
where: short stacking energy: -103.364
Base-Backbone interact. energy: -0.079
local terms energy: -111.118785
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -327.438624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.438624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.438624 (E_RNA)
where:
Base-Base interactions energy: -203.958
where: short stacking energy: -105.378
Base-Backbone interact. energy: 1.027
local terms energy: -124.507878
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: -32.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -347.118735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.118735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.118735 (E_RNA)
where:
Base-Base interactions energy: -231.378
where: short stacking energy: -96.615
Base-Backbone interact. energy: -2.900
local terms energy: -112.841216
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -256.416944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.416944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.416944 (E_RNA)
where:
Base-Base interactions energy: -158.864
where: short stacking energy: -88.119
Base-Backbone interact. energy: -0.093
local terms energy: -97.459198
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -15.414
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: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -246.924313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.924313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.924313 (E_RNA)
where:
Base-Base interactions energy: -158.230
where: short stacking energy: -71.505
Base-Backbone interact. energy: -1.134
local terms energy: -87.561192
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -228.913770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.913770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.913770 (E_RNA)
where:
Base-Base interactions energy: -133.125
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.353
local terms energy: -95.436117
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -14.713
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: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -209.604256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.604256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604256 (E_RNA)
where:
Base-Base interactions energy: -130.265
where: short stacking energy: -65.670
Base-Backbone interact. energy: -0.877
local terms energy: -78.462272
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -231.981017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.981017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.981017 (E_RNA)
where:
Base-Base interactions energy: -144.885
where: short stacking energy: -66.031
Base-Backbone interact. energy: 0.893
local terms energy: -87.988891
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -10.388
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: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -104.901415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.901415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.901415 (E_RNA)
where:
Base-Base interactions energy: -31.664
where: short stacking energy: -31.664
Base-Backbone interact. energy: -0.210
local terms energy: -73.027267
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -6.882
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: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -371.956696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.956696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.956696 (E_RNA)
where:
Base-Base interactions energy: -256.284
where: short stacking energy: -110.842
Base-Backbone interact. energy: 0.100
local terms energy: -115.772590
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -31.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -335.062784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.062784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.062784 (E_RNA)
where:
Base-Base interactions energy: -215.294
where: short stacking energy: -105.336
Base-Backbone interact. energy: -0.059
local terms energy: -119.710005
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -31.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -337.970436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.970436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.970436 (E_RNA)
where:
Base-Base interactions energy: -216.792
where: short stacking energy: -113.370
Base-Backbone interact. energy: -0.249
local terms energy: -120.929599
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -27.102
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -33.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -300.249643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.249643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.249643 (E_RNA)
where:
Base-Base interactions energy: -188.744
where: short stacking energy: -94.624
Base-Backbone interact. energy: -0.184
local terms energy: -111.321295
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -28.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -250.836293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.836293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.836293 (E_RNA)
where:
Base-Base interactions energy: -154.486
where: short stacking energy: -77.237
Base-Backbone interact. energy: 0.405
local terms energy: -96.755000
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -13.846
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: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -236.535239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535239 (E_RNA)
where:
Base-Base interactions energy: -143.582
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.143
local terms energy: -92.810494
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -223.254847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.254847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.254847 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -72.958
Base-Backbone interact. energy: -0.167
local terms energy: -84.634365
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -15.459
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: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -219.747918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.747918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.747918 (E_RNA)
where:
Base-Base interactions energy: -127.679
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.437
local terms energy: -91.631397
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -17.537
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: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -215.949391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.949391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.949391 (E_RNA)
where:
Base-Base interactions energy: -133.546
where: short stacking energy: -47.367
Base-Backbone interact. energy: -0.940
local terms energy: -81.463694
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -103.865071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.865071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.865071 (E_RNA)
where:
Base-Base interactions energy: -25.950
where: short stacking energy: -18.164
Base-Backbone interact. energy: -0.158
local terms energy: -77.757045
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -24.954
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -367.745861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.745861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.745861 (E_RNA)
where:
Base-Base interactions energy: -246.820
where: short stacking energy: -112.069
Base-Backbone interact. energy: -0.067
local terms energy: -120.858531
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -33.311
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: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -354.801928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.801928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.801928 (E_RNA)
where:
Base-Base interactions energy: -235.367
where: short stacking energy: -108.587
Base-Backbone interact. energy: -1.047
local terms energy: -118.387616
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -34.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -326.140294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.140294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.140294 (E_RNA)
where:
Base-Base interactions energy: -202.461
where: short stacking energy: -100.347
Base-Backbone interact. energy: -0.301
local terms energy: -123.378271
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -26.478
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -30.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -257.106606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.106606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.106606 (E_RNA)
where:
Base-Base interactions energy: -147.993
where: short stacking energy: -76.825
Base-Backbone interact. energy: -1.001
local terms energy: -108.112524
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -278.610654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.610654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.610654 (E_RNA)
where:
Base-Base interactions energy: -172.630
where: short stacking energy: -78.244
Base-Backbone interact. energy: -0.031
local terms energy: -105.950075
where:
bonds (distance) C4'-P energy: -23.731
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -17.772
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: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -234.936762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.936762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.936762 (E_RNA)
where:
Base-Base interactions energy: -136.045
where: short stacking energy: -70.913
Base-Backbone interact. energy: -0.045
local terms energy: -98.846632
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -19.000
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: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -218.024178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.024178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.024178 (E_RNA)
where:
Base-Base interactions energy: -137.766
where: short stacking energy: -58.468
Base-Backbone interact. energy: -0.995
local terms energy: -79.262655
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -223.406025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.406025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.406025 (E_RNA)
where:
Base-Base interactions energy: -133.620
where: short stacking energy: -66.639
Base-Backbone interact. energy: -0.189
local terms energy: -89.597489
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -11.410
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: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -214.954030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.954030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.954030 (E_RNA)
where:
Base-Base interactions energy: -126.437
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.010
local terms energy: -88.507202
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -7.668
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: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -115.208112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.208112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.208112 (E_RNA)
where:
Base-Base interactions energy: -47.997
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.297
local terms energy: -66.914240
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -4.547
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: 238
Temperature: 0.900000
Total energy: -365.049785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.049785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.049785 (E_RNA)
where:
Base-Base interactions energy: -236.776
where: short stacking energy: -105.724
Base-Backbone interact. energy: -1.063
local terms energy: -127.210670
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -35.546
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: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -354.423693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.423693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.423693 (E_RNA)
where:
Base-Base interactions energy: -241.247
where: short stacking energy: -106.272
Base-Backbone interact. energy: 2.589
local terms energy: -115.765973
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -25.346
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -29.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -300.984685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.984685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.984685 (E_RNA)
where:
Base-Base interactions energy: -191.090
where: short stacking energy: -94.394
Base-Backbone interact. energy: -0.200
local terms energy: -109.694499
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -29.838
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: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -266.182235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.182235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.182235 (E_RNA)
where:
Base-Base interactions energy: -159.888
where: short stacking energy: -88.820
Base-Backbone interact. energy: -0.091
local terms energy: -106.203871
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -17.207
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: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -292.985339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.985339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.985339 (E_RNA)
where:
Base-Base interactions energy: -186.432
where: short stacking energy: -89.647
Base-Backbone interact. energy: -0.926
local terms energy: -105.627311
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -22.206
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: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -235.972894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.972894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.972894 (E_RNA)
where:
Base-Base interactions energy: -134.215
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.092
local terms energy: -101.666048
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -14.092
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: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -222.400913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.400913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.400913 (E_RNA)
where:
Base-Base interactions energy: -129.613
where: short stacking energy: -69.636
Base-Backbone interact. energy: -0.932
local terms energy: -91.855729
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -203.540714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.540714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.540714 (E_RNA)
where:
Base-Base interactions energy: -118.617
where: short stacking energy: -61.840
Base-Backbone interact. energy: 2.401
local terms energy: -87.325153
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -11.373
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: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -230.325582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.325582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.325582 (E_RNA)
where:
Base-Base interactions energy: -128.408
where: short stacking energy: -62.045
Base-Backbone interact. energy: -0.112
local terms energy: -101.805957
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -112.628390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.628390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.628390 (E_RNA)
where:
Base-Base interactions energy: -38.095
where: short stacking energy: -38.095
Base-Backbone interact. energy: -0.578
local terms energy: -73.955366
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -371.860547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.860547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.860547 (E_RNA)
where:
Base-Base interactions energy: -246.520
where: short stacking energy: -111.147
Base-Backbone interact. energy: -0.119
local terms energy: -125.221747
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -32.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -369.654839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.654839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.654839 (E_RNA)
where:
Base-Base interactions energy: -252.955
where: short stacking energy: -107.716
Base-Backbone interact. energy: -1.494
local terms energy: -115.205133
where:
bonds (distance) C4'-P energy: -23.421
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -34.280
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: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -326.756530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.756530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.756530 (E_RNA)
where:
Base-Base interactions energy: -214.281
where: short stacking energy: -95.513
Base-Backbone interact. energy: -0.530
local terms energy: -111.945288
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -302.738714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.738714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.738714 (E_RNA)
where:
Base-Base interactions energy: -196.447
where: short stacking energy: -94.118
Base-Backbone interact. energy: 1.254
local terms energy: -107.546533
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -25.432
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: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -280.663748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.663748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.663748 (E_RNA)
where:
Base-Base interactions energy: -170.526
where: short stacking energy: -94.509
Base-Backbone interact. energy: -0.421
local terms energy: -109.716550
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -27.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -233.404906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.404906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.404906 (E_RNA)
where:
Base-Base interactions energy: -139.164
where: short stacking energy: -66.183
Base-Backbone interact. energy: -0.228
local terms energy: -94.012654
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -14.012
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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -206.462781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.462781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.462781 (E_RNA)
where:
Base-Base interactions energy: -128.073
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.561
local terms energy: -77.829082
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -222.518610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.518610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.518610 (E_RNA)
where:
Base-Base interactions energy: -132.909
where: short stacking energy: -60.189
Base-Backbone interact. energy: 0.986
local terms energy: -90.596376
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -9.744
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: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -218.816119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.816119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.816119 (E_RNA)
where:
Base-Base interactions energy: -134.545
where: short stacking energy: -52.681
Base-Backbone interact. energy: -0.466
local terms energy: -83.804602
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -9.337
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: 10, replica: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -114.868492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.868492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.868492 (E_RNA)
where:
Base-Base interactions energy: -41.860
where: short stacking energy: -27.004
Base-Backbone interact. energy: -0.405
local terms energy: -72.603240
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: 4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -371.982363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.982363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.982363 (E_RNA)
where:
Base-Base interactions energy: -256.069
where: short stacking energy: -118.061
Base-Backbone interact. energy: -0.503
local terms energy: -115.409676
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -27.636
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -34.396
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: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -366.398831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.398831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.398831 (E_RNA)
where:
Base-Base interactions energy: -247.202
where: short stacking energy: -99.689
Base-Backbone interact. energy: -0.958
local terms energy: -118.238844
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -34.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -319.801187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.801187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.801187 (E_RNA)
where:
Base-Base interactions energy: -216.102
where: short stacking energy: -111.712
Base-Backbone interact. energy: -0.002
local terms energy: -103.696850
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -28.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -295.249231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.249231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.249231 (E_RNA)
where:
Base-Base interactions energy: -184.143
where: short stacking energy: -81.822
Base-Backbone interact. energy: -0.142
local terms energy: -110.964100
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -28.290
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -17.524
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: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -255.553437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.553437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.553437 (E_RNA)
where:
Base-Base interactions energy: -144.815
where: short stacking energy: -73.887
Base-Backbone interact. energy: 0.121
local terms energy: -110.859472
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -19.933
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: 240
Temperature: 1.150000
Total energy: -257.054959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.054959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.054959 (E_RNA)
where:
Base-Base interactions energy: -157.988
where: short stacking energy: -90.042
Base-Backbone interact. energy: -0.176
local terms energy: -98.891153
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -212.829380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.829380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.829380 (E_RNA)
where:
Base-Base interactions energy: -114.212
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.123
local terms energy: -98.494360
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -226.148851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.148851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.148851 (E_RNA)
where:
Base-Base interactions energy: -135.749
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.477
local terms energy: -89.922282
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -215.924827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.924827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.924827 (E_RNA)
where:
Base-Base interactions energy: -132.877
where: short stacking energy: -71.887
Base-Backbone interact. energy: -0.070
local terms energy: -82.977582
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -103.928560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.928560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.928560 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -26.904
Base-Backbone interact. energy: -0.588
local terms energy: -61.209525
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: 2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -365.948972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.948972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.948972 (E_RNA)
where:
Base-Base interactions energy: -244.749
where: short stacking energy: -114.175
Base-Backbone interact. energy: -0.130
local terms energy: -121.069981
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -35.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -361.655784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.655784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.655784 (E_RNA)
where:
Base-Base interactions energy: -238.395
where: short stacking energy: -105.179
Base-Backbone interact. energy: -2.666
local terms energy: -120.594974
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -32.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -323.773347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.773347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.773347 (E_RNA)
where:
Base-Base interactions energy: -223.378
where: short stacking energy: -92.664
Base-Backbone interact. energy: -0.222
local terms energy: -100.172813
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -288.842441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.842441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.842441 (E_RNA)
where:
Base-Base interactions energy: -171.322
where: short stacking energy: -80.567
Base-Backbone interact. energy: -0.343
local terms energy: -117.177648
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -26.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -269.627437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.627437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.627437 (E_RNA)
where:
Base-Base interactions energy: -161.191
where: short stacking energy: -81.934
Base-Backbone interact. energy: -0.069
local terms energy: -108.368145
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -234.982674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.982674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.982674 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.462
local terms energy: -93.990766
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -17.214
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: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -190.439481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.439481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.439481 (E_RNA)
where:
Base-Base interactions energy: -108.975
where: short stacking energy: -59.516
Base-Backbone interact. energy: 0.090
local terms energy: -81.554527
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -226.986423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.986423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.986423 (E_RNA)
where:
Base-Base interactions energy: -129.745
where: short stacking energy: -62.717
Base-Backbone interact. energy: -0.170
local terms energy: -97.071390
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -20.759
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: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -210.918275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.918275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.918275 (E_RNA)
where:
Base-Base interactions energy: -132.658
where: short stacking energy: -59.866
Base-Backbone interact. energy: -0.230
local terms energy: -78.029647
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -116.577925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.577925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.577925 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -38.872
Base-Backbone interact. energy: -0.264
local terms energy: -70.423120
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -372.591359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.591359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.591359 (E_RNA)
where:
Base-Base interactions energy: -246.792
where: short stacking energy: -109.298
Base-Backbone interact. energy: 0.355
local terms energy: -126.154072
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -33.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -317.627595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.627595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.627595 (E_RNA)
where:
Base-Base interactions energy: -208.411
where: short stacking energy: -90.091
Base-Backbone interact. energy: -0.570
local terms energy: -108.646750
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -23.126
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: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -309.332454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.332454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.332454 (E_RNA)
where:
Base-Base interactions energy: -192.983
where: short stacking energy: -92.227
Base-Backbone interact. energy: -0.416
local terms energy: -115.933451
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -30.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -306.169927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.169927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.169927 (E_RNA)
where:
Base-Base interactions energy: -188.436
where: short stacking energy: -97.115
Base-Backbone interact. energy: -0.135
local terms energy: -117.599093
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -32.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -253.544586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.544586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.544586 (E_RNA)
where:
Base-Base interactions energy: -153.702
where: short stacking energy: -77.599
Base-Backbone interact. energy: -0.078
local terms energy: -99.764315
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -19.445
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: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -273.021717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.021717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.021717 (E_RNA)
where:
Base-Base interactions energy: -178.842
where: short stacking energy: -81.963
Base-Backbone interact. energy: -0.670
local terms energy: -93.509372
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -220.599952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599952 (E_RNA)
where:
Base-Base interactions energy: -123.248
where: short stacking energy: -69.940
Base-Backbone interact. energy: 2.935
local terms energy: -100.286786
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -17.274
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: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -224.380670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.380670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.380670 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -68.472
Base-Backbone interact. energy: -0.108
local terms energy: -85.480843
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -226.918582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.918582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.918582 (E_RNA)
where:
Base-Base interactions energy: -146.826
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.248
local terms energy: -79.843959
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -10.251
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: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -106.120848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.120848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.120848 (E_RNA)
where:
Base-Base interactions energy: -43.145
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.283
local terms energy: -62.692590
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: 7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -370.279780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.279780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.279780 (E_RNA)
where:
Base-Base interactions energy: -246.897
where: short stacking energy: -110.044
Base-Backbone interact. energy: -0.232
local terms energy: -123.150649
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -32.466
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: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -342.214729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.214729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.214729 (E_RNA)
where:
Base-Base interactions energy: -223.772
where: short stacking energy: -102.982
Base-Backbone interact. energy: -1.124
local terms energy: -117.319279
where:
bonds (distance) C4'-P energy: -23.881
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -28.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -302.659801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.659801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.659801 (E_RNA)
where:
Base-Base interactions energy: -192.780
where: short stacking energy: -94.255
Base-Backbone interact. energy: -0.001
local terms energy: -109.878297
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -30.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -306.153394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.153394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.153394 (E_RNA)
where:
Base-Base interactions energy: -207.408
where: short stacking energy: -86.945
Base-Backbone interact. energy: 1.623
local terms energy: -100.367627
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -26.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -245.962014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.962014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.962014 (E_RNA)
where:
Base-Base interactions energy: -149.807
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.387
local terms energy: -95.768460
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -12.202
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: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -244.686282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.686282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.686282 (E_RNA)
where:
Base-Base interactions energy: -147.856
where: short stacking energy: -69.904
Base-Backbone interact. energy: -1.003
local terms energy: -95.826485
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -204.165195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.165195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.165195 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.077
local terms energy: -85.503175
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -13.647
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: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -220.426273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.426273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.426273 (E_RNA)
where:
Base-Base interactions energy: -126.185
where: short stacking energy: -66.878
Base-Backbone interact. energy: -0.063
local terms energy: -94.178967
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -212.490581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.490581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.490581 (E_RNA)
where:
Base-Base interactions energy: -130.078
where: short stacking energy: -66.997
Base-Backbone interact. energy: -1.517
local terms energy: -80.894679
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -110.528482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.528482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.528482 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -36.724
Base-Backbone interact. energy: -0.534
local terms energy: -73.271212
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -9.276
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: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -377.477225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.477225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.477225 (E_RNA)
where:
Base-Base interactions energy: -252.844
where: short stacking energy: -120.629
Base-Backbone interact. energy: -0.127
local terms energy: -124.506527
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -25.773
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -36.627
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: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -351.735560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.735560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.735560 (E_RNA)
where:
Base-Base interactions energy: -235.364
where: short stacking energy: -101.569
Base-Backbone interact. energy: -0.799
local terms energy: -115.572038
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -30.504
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: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -303.212657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.212657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.212657 (E_RNA)
where:
Base-Base interactions energy: -196.281
where: short stacking energy: -96.975
Base-Backbone interact. energy: -0.203
local terms energy: -106.728074
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -26.457
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: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -290.179448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.179448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.179448 (E_RNA)
where:
Base-Base interactions energy: -180.860
where: short stacking energy: -84.895
Base-Backbone interact. energy: -0.005
local terms energy: -109.314123
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -26.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -242.544481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.544481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.544481 (E_RNA)
where:
Base-Base interactions energy: -142.356
where: short stacking energy: -77.861
Base-Backbone interact. energy: 0.716
local terms energy: -100.904359
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -239.439442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.439442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.439442 (E_RNA)
where:
Base-Base interactions energy: -153.797
where: short stacking energy: -76.679
Base-Backbone interact. energy: -0.075
local terms energy: -85.567441
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.500
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: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -226.812726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.812726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.812726 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -72.541
Base-Backbone interact. energy: 0.017
local terms energy: -91.582402
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -182.880487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.880487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.880487 (E_RNA)
where:
Base-Base interactions energy: -98.956
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.687
local terms energy: -83.237977
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -190.980991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980991 (E_RNA)
where:
Base-Base interactions energy: -107.243
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.289
local terms energy: -83.448778
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -108.758097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.758097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.758097 (E_RNA)
where:
Base-Base interactions energy: -37.591
where: short stacking energy: -37.585
Base-Backbone interact. energy: -0.248
local terms energy: -70.919056
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -0.976
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: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -357.712227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.712227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.712227 (E_RNA)
where:
Base-Base interactions energy: -234.979
where: short stacking energy: -102.625
Base-Backbone interact. energy: -0.124
local terms energy: -122.609815
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -34.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -354.152428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.152428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.152428 (E_RNA)
where:
Base-Base interactions energy: -240.868
where: short stacking energy: -105.692
Base-Backbone interact. energy: -1.550
local terms energy: -111.734070
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -291.422813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.422813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.422813 (E_RNA)
where:
Base-Base interactions energy: -183.214
where: short stacking energy: -79.486
Base-Backbone interact. energy: -0.230
local terms energy: -107.979484
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -26.384
flat angles P-C4'-P energy: -17.276
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: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -303.935226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.935226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.935226 (E_RNA)
where:
Base-Base interactions energy: -207.175
where: short stacking energy: -96.699
Base-Backbone interact. energy: -0.300
local terms energy: -96.460969
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -24.947
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: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -251.307714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.307714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.307714 (E_RNA)
where:
Base-Base interactions energy: -154.957
where: short stacking energy: -81.582
Base-Backbone interact. energy: -0.142
local terms energy: -96.208962
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -19.448
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: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -235.755452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.755452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.755452 (E_RNA)
where:
Base-Base interactions energy: -138.600
where: short stacking energy: -68.434
Base-Backbone interact. energy: 0.920
local terms energy: -98.075217
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -229.381156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.381156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.381156 (E_RNA)
where:
Base-Base interactions energy: -138.019
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.110
local terms energy: -91.252420
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -181.679666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.679666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.679666 (E_RNA)
where:
Base-Base interactions energy: -112.298
where: short stacking energy: -58.144
Base-Backbone interact. energy: 0.508
local terms energy: -69.890554
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -11.354
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: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -183.392685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.392685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.392685 (E_RNA)
where:
Base-Base interactions energy: -107.444
where: short stacking energy: -53.428
Base-Backbone interact. energy: 1.301
local terms energy: -77.249350
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -110.992750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.992750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.992750 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -28.433
Base-Backbone interact. energy: -0.562
local terms energy: -71.036751
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -360.763372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.763372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.763372 (E_RNA)
where:
Base-Base interactions energy: -243.278
where: short stacking energy: -100.899
Base-Backbone interact. energy: -0.462
local terms energy: -117.023707
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -29.859
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: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -350.538634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.538634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.538634 (E_RNA)
where:
Base-Base interactions energy: -234.300
where: short stacking energy: -107.579
Base-Backbone interact. energy: 1.200
local terms energy: -117.437864
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -30.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -303.809192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.809192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.809192 (E_RNA)
where:
Base-Base interactions energy: -193.761
where: short stacking energy: -88.857
Base-Backbone interact. energy: 0.841
local terms energy: -110.888829
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -18.618
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: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -285.979808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.979808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.979808 (E_RNA)
where:
Base-Base interactions energy: -179.142
where: short stacking energy: -82.446
Base-Backbone interact. energy: -0.365
local terms energy: -106.473345
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -24.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -246.788309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.788309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.788309 (E_RNA)
where:
Base-Base interactions energy: -149.685
where: short stacking energy: -74.178
Base-Backbone interact. energy: -0.003
local terms energy: -97.099981
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -27.000
flat angles P-C4'-P energy: -10.372
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: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -243.242037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.242037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.242037 (E_RNA)
where:
Base-Base interactions energy: -155.021
where: short stacking energy: -70.755
Base-Backbone interact. energy: -0.196
local terms energy: -88.025185
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -226.463392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.463392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.463392 (E_RNA)
where:
Base-Base interactions energy: -142.837
where: short stacking energy: -60.480
Base-Backbone interact. energy: -0.294
local terms energy: -83.331782
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -224.666107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.666107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.666107 (E_RNA)
where:
Base-Base interactions energy: -150.916
where: short stacking energy: -60.218
Base-Backbone interact. energy: -0.659
local terms energy: -73.091707
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.740
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: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -205.953248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.953248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.953248 (E_RNA)
where:
Base-Base interactions energy: -112.382
where: short stacking energy: -54.873
Base-Backbone interact. energy: -0.771
local terms energy: -92.800599
where:
bonds (distance) C4'-P energy: -23.165
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -8.640
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: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -108.761307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.761307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.761307 (E_RNA)
where:
Base-Base interactions energy: -44.591
where: short stacking energy: -31.149
Base-Backbone interact. energy: -0.435
local terms energy: -63.735533
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -354.631787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.631787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.631787 (E_RNA)
where:
Base-Base interactions energy: -238.780
where: short stacking energy: -96.571
Base-Backbone interact. energy: -0.094
local terms energy: -115.757201
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -29.229
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: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -358.756955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.756955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.756955 (E_RNA)
where:
Base-Base interactions energy: -243.524
where: short stacking energy: -102.354
Base-Backbone interact. energy: -1.816
local terms energy: -113.416868
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -31.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -302.549475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.549475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.549475 (E_RNA)
where:
Base-Base interactions energy: -199.953
where: short stacking energy: -89.730
Base-Backbone interact. energy: -0.285
local terms energy: -102.311540
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -19.702
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: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -300.012052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.012052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.012052 (E_RNA)
where:
Base-Base interactions energy: -193.951
where: short stacking energy: -80.886
Base-Backbone interact. energy: 0.270
local terms energy: -106.330936
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -256.488910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.488910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.488910 (E_RNA)
where:
Base-Base interactions energy: -153.099
where: short stacking energy: -86.624
Base-Backbone interact. energy: -0.890
local terms energy: -102.500531
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -238.287431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.287431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.287431 (E_RNA)
where:
Base-Base interactions energy: -142.458
where: short stacking energy: -79.097
Base-Backbone interact. energy: -0.168
local terms energy: -95.661329
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -25.371
flat angles P-C4'-P energy: -10.552
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: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -249.715181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.715181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.715181 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -64.957
Base-Backbone interact. energy: -1.366
local terms energy: -94.732342
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -241.635933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.635933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.635933 (E_RNA)
where:
Base-Base interactions energy: -145.633
where: short stacking energy: -59.083
Base-Backbone interact. energy: -0.201
local terms energy: -95.802185
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -24.235
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -13.150
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: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -208.436140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.436140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.436140 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -64.042
Base-Backbone interact. energy: -0.111
local terms energy: -77.168163
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -11.531
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: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -110.392357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.392357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.392357 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.210
local terms energy: -76.837797
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -3.244
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: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -362.258297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.258297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.258297 (E_RNA)
where:
Base-Base interactions energy: -239.888
where: short stacking energy: -103.419
Base-Backbone interact. energy: -1.689
local terms energy: -120.680921
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -34.823
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: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -353.146240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.146240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.146240 (E_RNA)
where:
Base-Base interactions energy: -230.036
where: short stacking energy: -96.909
Base-Backbone interact. energy: -0.160
local terms energy: -122.950866
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -31.221
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: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -309.899825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.899825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.899825 (E_RNA)
where:
Base-Base interactions energy: -197.943
where: short stacking energy: -82.360
Base-Backbone interact. energy: -0.277
local terms energy: -111.680461
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -25.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -298.591960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.591960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.591960 (E_RNA)
where:
Base-Base interactions energy: -196.111
where: short stacking energy: -88.522
Base-Backbone interact. energy: -0.451
local terms energy: -102.029790
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -25.474
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: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -239.796814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.796814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.796814 (E_RNA)
where:
Base-Base interactions energy: -148.378
where: short stacking energy: -74.141
Base-Backbone interact. energy: -0.203
local terms energy: -91.215385
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -14.572
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: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -228.373125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.373125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.373125 (E_RNA)
where:
Base-Base interactions energy: -123.788
where: short stacking energy: -72.141
Base-Backbone interact. energy: 0.515
local terms energy: -105.099649
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -21.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -244.783478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.783478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.783478 (E_RNA)
where:
Base-Base interactions energy: -146.518
where: short stacking energy: -83.074
Base-Backbone interact. energy: -1.096
local terms energy: -97.169975
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -12.617
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: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -221.063414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.063414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.063414 (E_RNA)
where:
Base-Base interactions energy: -137.481
where: short stacking energy: -61.143
Base-Backbone interact. energy: -1.164
local terms energy: -82.418218
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -184.965078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.965078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.965078 (E_RNA)
where:
Base-Base interactions energy: -112.267
where: short stacking energy: -53.260
Base-Backbone interact. energy: 0.385
local terms energy: -73.082312
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -2.331
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: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -114.720865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.720865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.720865 (E_RNA)
where:
Base-Base interactions energy: -45.446
where: short stacking energy: -42.193
Base-Backbone interact. energy: 0.515
local terms energy: -69.790117
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -363.927747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.927747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.927747 (E_RNA)
where:
Base-Base interactions energy: -238.257
where: short stacking energy: -109.307
Base-Backbone interact. energy: -1.816
local terms energy: -123.854264
where:
bonds (distance) C4'-P energy: -24.473
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -28.406
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -30.150
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: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -343.755102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.755102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.755102 (E_RNA)
where:
Base-Base interactions energy: -218.408
where: short stacking energy: -97.365
Base-Backbone interact. energy: -0.135
local terms energy: -125.212091
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -26.625
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -28.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -306.067086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.067086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.067086 (E_RNA)
where:
Base-Base interactions energy: -188.449
where: short stacking energy: -84.030
Base-Backbone interact. energy: 0.419
local terms energy: -118.037091
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -28.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -314.744104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.744104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.744104 (E_RNA)
where:
Base-Base interactions energy: -212.179
where: short stacking energy: -94.518
Base-Backbone interact. energy: 0.533
local terms energy: -103.098024
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -246.096984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.096984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.096984 (E_RNA)
where:
Base-Base interactions energy: -149.750
where: short stacking energy: -78.642
Base-Backbone interact. energy: -0.491
local terms energy: -95.856373
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -20.423
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: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -245.000950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.000950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.000950 (E_RNA)
where:
Base-Base interactions energy: -147.837
where: short stacking energy: -74.189
Base-Backbone interact. energy: -0.287
local terms energy: -96.876841
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -263.841527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.841527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.841527 (E_RNA)
where:
Base-Base interactions energy: -170.647
where: short stacking energy: -71.508
Base-Backbone interact. energy: -1.139
local terms energy: -92.055911
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -193.535362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.535362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.535362 (E_RNA)
where:
Base-Base interactions energy: -117.615
where: short stacking energy: -54.359
Base-Backbone interact. energy: 0.214
local terms energy: -76.134306
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -214.074096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.074096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.074096 (E_RNA)
where:
Base-Base interactions energy: -124.521
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.352
local terms energy: -89.201009
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -11.654
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: 249
Temperature: 1.350000
Total energy: -103.878271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.878271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.878271 (E_RNA)
where:
Base-Base interactions energy: -24.342
where: short stacking energy: -20.857
Base-Backbone interact. energy: 1.174
local terms energy: -80.710359
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -29.278
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -348.695389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.695389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.695389 (E_RNA)
where:
Base-Base interactions energy: -223.449
where: short stacking energy: -100.828
Base-Backbone interact. energy: -0.662
local terms energy: -124.583553
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -31.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -332.452732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.452732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.452732 (E_RNA)
where:
Base-Base interactions energy: -216.200
where: short stacking energy: -95.331
Base-Backbone interact. energy: -1.917
local terms energy: -114.336039
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -27.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -324.298235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.298235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.298235 (E_RNA)
where:
Base-Base interactions energy: -209.265
where: short stacking energy: -101.167
Base-Backbone interact. energy: -0.553
local terms energy: -114.480164
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -25.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -300.578385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.578385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.578385 (E_RNA)
where:
Base-Base interactions energy: -199.272
where: short stacking energy: -84.932
Base-Backbone interact. energy: -1.715
local terms energy: -99.591350
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -242.677380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.677380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.677380 (E_RNA)
where:
Base-Base interactions energy: -143.227
where: short stacking energy: -69.376
Base-Backbone interact. energy: -0.105
local terms energy: -99.345017
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -14.365
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: 250
Temperature: 1.150000
Total energy: -240.289330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.289330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.289330 (E_RNA)
where:
Base-Base interactions energy: -141.132
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.015
local terms energy: -99.142283
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -16.526
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: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -224.704470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.704470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.704470 (E_RNA)
where:
Base-Base interactions energy: -122.145
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.171
local terms energy: -102.388127
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -18.760
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: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -227.411498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.411498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.411498 (E_RNA)
where:
Base-Base interactions energy: -139.367
where: short stacking energy: -66.340
Base-Backbone interact. energy: -0.006
local terms energy: -88.038278
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -18.695
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: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -200.787729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.787729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.787729 (E_RNA)
where:
Base-Base interactions energy: -112.694
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.092
local terms energy: -88.001725
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -15.385
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: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -116.714287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.714287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.714287 (E_RNA)
where:
Base-Base interactions energy: -47.420
where: short stacking energy: -36.869
Base-Backbone interact. energy: 0.223
local terms energy: -69.517430
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -342.395201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.395201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.395201 (E_RNA)
where:
Base-Base interactions energy: -227.568
where: short stacking energy: -93.539
Base-Backbone interact. energy: -0.074
local terms energy: -114.753632
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -343.835617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.835617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.835617 (E_RNA)
where:
Base-Base interactions energy: -220.778
where: short stacking energy: -110.881
Base-Backbone interact. energy: -0.065
local terms energy: -122.992899
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -31.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -337.748805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.748805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.748805 (E_RNA)
where:
Base-Base interactions energy: -224.694
where: short stacking energy: -100.694
Base-Backbone interact. energy: -0.837
local terms energy: -112.217492
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -29.201
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: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -300.790355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.790355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.790355 (E_RNA)
where:
Base-Base interactions energy: -193.887
where: short stacking energy: -89.449
Base-Backbone interact. energy: -0.637
local terms energy: -106.266859
where:
bonds (distance) C4'-P energy: -24.969
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -24.215
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -243.495515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.495515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.495515 (E_RNA)
where:
Base-Base interactions energy: -148.542
where: short stacking energy: -61.967
Base-Backbone interact. energy: -0.053
local terms energy: -94.900562
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -242.973396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.973396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.973396 (E_RNA)
where:
Base-Base interactions energy: -149.958
where: short stacking energy: -74.494
Base-Backbone interact. energy: -0.141
local terms energy: -92.874465
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -220.979215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.979215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.979215 (E_RNA)
where:
Base-Base interactions energy: -137.154
where: short stacking energy: -72.647
Base-Backbone interact. energy: 0.583
local terms energy: -84.408151
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -15.012
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: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -208.857543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.857543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.857543 (E_RNA)
where:
Base-Base interactions energy: -126.219
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.197
local terms energy: -82.440758
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -233.561101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.561101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.561101 (E_RNA)
where:
Base-Base interactions energy: -138.160
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.713
local terms energy: -94.687748
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -105.677635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.677635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.677635 (E_RNA)
where:
Base-Base interactions energy: -46.238
where: short stacking energy: -39.477
Base-Backbone interact. energy: -0.271
local terms energy: -59.168722
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -7.859
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: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -355.322504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.322504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.322504 (E_RNA)
where:
Base-Base interactions energy: -242.546
where: short stacking energy: -103.728
Base-Backbone interact. energy: 2.056
local terms energy: -114.832449
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -29.784
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: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -343.112738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.112738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.112738 (E_RNA)
where:
Base-Base interactions energy: -219.556
where: short stacking energy: -103.889
Base-Backbone interact. energy: -0.309
local terms energy: -123.248142
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -34.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -324.024087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.024087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.024087 (E_RNA)
where:
Base-Base interactions energy: -205.485
where: short stacking energy: -102.658
Base-Backbone interact. energy: -0.004
local terms energy: -118.535256
where:
bonds (distance) C4'-P energy: -25.944
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -31.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -326.822073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.822073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.822073 (E_RNA)
where:
Base-Base interactions energy: -216.706
where: short stacking energy: -93.695
Base-Backbone interact. energy: 1.206
local terms energy: -111.321458
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -25.340
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -267.397822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.397822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.397822 (E_RNA)
where:
Base-Base interactions energy: -168.641
where: short stacking energy: -84.308
Base-Backbone interact. energy: -0.035
local terms energy: -98.721932
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -237.516639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.516639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.516639 (E_RNA)
where:
Base-Base interactions energy: -146.001
where: short stacking energy: -70.006
Base-Backbone interact. energy: 0.566
local terms energy: -92.081050
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -256.425988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.425988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.425988 (E_RNA)
where:
Base-Base interactions energy: -162.707
where: short stacking energy: -75.866
Base-Backbone interact. energy: -0.311
local terms energy: -93.407656
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -22.287
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: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -209.664496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.664496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.664496 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -68.657
Base-Backbone interact. energy: 0.128
local terms energy: -72.172523
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -7.718
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: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -200.980664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.980664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.980664 (E_RNA)
where:
Base-Base interactions energy: -117.603
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.740
local terms energy: -82.637468
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -117.267326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.267326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.267326 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -31.767
Base-Backbone interact. energy: 0.778
local terms energy: -84.070839
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: 2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -360.733153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.733153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.733153 (E_RNA)
where:
Base-Base interactions energy: -248.395
where: short stacking energy: -100.446
Base-Backbone interact. energy: 1.652
local terms energy: -113.989343
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -28.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -352.988392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.988392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.988392 (E_RNA)
where:
Base-Base interactions energy: -228.421
where: short stacking energy: -104.715
Base-Backbone interact. energy: -0.723
local terms energy: -123.845318
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -28.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -322.883125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.883125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.883125 (E_RNA)
where:
Base-Base interactions energy: -204.698
where: short stacking energy: -102.171
Base-Backbone interact. energy: -0.125
local terms energy: -118.059281
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -28.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -325.545332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.545332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.545332 (E_RNA)
where:
Base-Base interactions energy: -209.581
where: short stacking energy: -87.319
Base-Backbone interact. energy: -1.704
local terms energy: -114.260770
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -276.532670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.532670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.532670 (E_RNA)
where:
Base-Base interactions energy: -168.874
where: short stacking energy: -88.167
Base-Backbone interact. energy: -0.414
local terms energy: -107.244833
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -233.477989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.477989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.477989 (E_RNA)
where:
Base-Base interactions energy: -134.522
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.133
local terms energy: -98.823374
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -228.395710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.395710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.395710 (E_RNA)
where:
Base-Base interactions energy: -132.510
where: short stacking energy: -59.075
Base-Backbone interact. energy: 0.224
local terms energy: -96.109860
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -15.787
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: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -214.320649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.320649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.320649 (E_RNA)
where:
Base-Base interactions energy: -129.845
where: short stacking energy: -66.622
Base-Backbone interact. energy: -0.291
local terms energy: -84.184237
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -202.742001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.742001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.742001 (E_RNA)
where:
Base-Base interactions energy: -117.893
where: short stacking energy: -58.596
Base-Backbone interact. energy: 0.906
local terms energy: -85.755088
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -107.957964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.957964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.957964 (E_RNA)
where:
Base-Base interactions energy: -33.602
where: short stacking energy: -33.602
Base-Backbone interact. energy: -0.669
local terms energy: -73.686889
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -352.880404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.880404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.880404 (E_RNA)
where:
Base-Base interactions energy: -231.800
where: short stacking energy: -104.255
Base-Backbone interact. energy: -0.735
local terms energy: -120.346148
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -28.766
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: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -351.286628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.286628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.286628 (E_RNA)
where:
Base-Base interactions energy: -238.303
where: short stacking energy: -104.689
Base-Backbone interact. energy: -0.445
local terms energy: -112.538197
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -28.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -316.983728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.983728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.983728 (E_RNA)
where:
Base-Base interactions energy: -202.270
where: short stacking energy: -96.335
Base-Backbone interact. energy: -0.087
local terms energy: -114.627476
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -31.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -322.480777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.480777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.480777 (E_RNA)
where:
Base-Base interactions energy: -203.310
where: short stacking energy: -91.800
Base-Backbone interact. energy: -0.523
local terms energy: -118.647328
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -29.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -310.697585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.697585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.697585 (E_RNA)
where:
Base-Base interactions energy: -193.679
where: short stacking energy: -91.733
Base-Backbone interact. energy: 2.073
local terms energy: -119.091077
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -33.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -237.863781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.863781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.863781 (E_RNA)
where:
Base-Base interactions energy: -136.286
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.027
local terms energy: -101.550971
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -236.253743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.253743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.253743 (E_RNA)
where:
Base-Base interactions energy: -143.737
where: short stacking energy: -68.586
Base-Backbone interact. energy: 0.507
local terms energy: -93.023363
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -16.585
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: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -222.145148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.145148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.145148 (E_RNA)
where:
Base-Base interactions energy: -141.230
where: short stacking energy: -64.596
Base-Backbone interact. energy: 3.682
local terms energy: -84.598052
where:
bonds (distance) C4'-P energy: -20.487
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -190.710518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.710518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.710518 (E_RNA)
where:
Base-Base interactions energy: -120.194
where: short stacking energy: -55.576
Base-Backbone interact. energy: 0.138
local terms energy: -70.653816
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -112.959544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.959544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.959544 (E_RNA)
where:
Base-Base interactions energy: -40.838
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.329
local terms energy: -71.792888
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -8.002
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: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -366.430471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.430471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.430471 (E_RNA)
where:
Base-Base interactions energy: -239.963
where: short stacking energy: -111.427
Base-Backbone interact. energy: -0.577
local terms energy: -125.890610
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -35.540
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: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -362.336337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.336337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.336337 (E_RNA)
where:
Base-Base interactions energy: -243.527
where: short stacking energy: -106.016
Base-Backbone interact. energy: -0.905
local terms energy: -117.903805
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -31.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -304.688087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.688087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.688087 (E_RNA)
where:
Base-Base interactions energy: -190.802
where: short stacking energy: -93.809
Base-Backbone interact. energy: -0.190
local terms energy: -113.696590
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -297.479716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.479716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.479716 (E_RNA)
where:
Base-Base interactions energy: -194.636
where: short stacking energy: -93.524
Base-Backbone interact. energy: -0.927
local terms energy: -101.917274
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -22.740
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -26.838
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: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -300.271045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.271045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.271045 (E_RNA)
where:
Base-Base interactions energy: -203.833
where: short stacking energy: -85.700
Base-Backbone interact. energy: -0.716
local terms energy: -95.721571
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -24.727
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: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -232.822233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.822233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.822233 (E_RNA)
where:
Base-Base interactions energy: -139.115
where: short stacking energy: -67.945
Base-Backbone interact. energy: -0.264
local terms energy: -93.443026
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -232.621712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.621712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.621712 (E_RNA)
where:
Base-Base interactions energy: -132.300
where: short stacking energy: -78.363
Base-Backbone interact. energy: -0.019
local terms energy: -100.302657
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -15.395
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: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -181.984852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.984852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.984852 (E_RNA)
where:
Base-Base interactions energy: -101.083
where: short stacking energy: -58.383
Base-Backbone interact. energy: 0.557
local terms energy: -81.458542
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -15.930
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: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -211.528106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.528106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.528106 (E_RNA)
where:
Base-Base interactions energy: -122.900
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.483
local terms energy: -88.145171
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -116.315795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.315795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.315795 (E_RNA)
where:
Base-Base interactions energy: -47.409
where: short stacking energy: -44.986
Base-Backbone interact. energy: -0.709
local terms energy: -68.197471
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: 1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -356.702870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.702870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.702870 (E_RNA)
where:
Base-Base interactions energy: -238.249
where: short stacking energy: -107.582
Base-Backbone interact. energy: -0.026
local terms energy: -118.427512
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -33.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -349.574565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.574565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.574565 (E_RNA)
where:
Base-Base interactions energy: -232.233
where: short stacking energy: -106.998
Base-Backbone interact. energy: -1.240
local terms energy: -116.101828
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -30.049
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: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -310.347346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.347346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.347346 (E_RNA)
where:
Base-Base interactions energy: -200.132
where: short stacking energy: -100.410
Base-Backbone interact. energy: -0.032
local terms energy: -110.183843
where:
bonds (distance) C4'-P energy: -23.212
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -25.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -296.821356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.821356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.821356 (E_RNA)
where:
Base-Base interactions energy: -191.939
where: short stacking energy: -92.311
Base-Backbone interact. energy: -0.098
local terms energy: -104.785001
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -16.816
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: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -291.899186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.899186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.899186 (E_RNA)
where:
Base-Base interactions energy: -183.445
where: short stacking energy: -83.193
Base-Backbone interact. energy: -0.394
local terms energy: -108.060214
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -245.596111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.596111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.596111 (E_RNA)
where:
Base-Base interactions energy: -153.920
where: short stacking energy: -76.807
Base-Backbone interact. energy: -0.099
local terms energy: -91.576868
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -225.204178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.204178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.204178 (E_RNA)
where:
Base-Base interactions energy: -130.850
where: short stacking energy: -65.167
Base-Backbone interact. energy: -0.125
local terms energy: -94.229158
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -211.034031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.034031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.034031 (E_RNA)
where:
Base-Base interactions energy: -118.835
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.084
local terms energy: -92.115097
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -12.618
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: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -234.465497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.465497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.465497 (E_RNA)
where:
Base-Base interactions energy: -138.853
where: short stacking energy: -69.457
Base-Backbone interact. energy: -0.197
local terms energy: -95.415127
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -108.979489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.979489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.979489 (E_RNA)
where:
Base-Base interactions energy: -33.101
where: short stacking energy: -29.443
Base-Backbone interact. energy: -0.272
local terms energy: -75.606465
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: 1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -365.417868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.417868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.417868 (E_RNA)
where:
Base-Base interactions energy: -248.467
where: short stacking energy: -112.109
Base-Backbone interact. energy: -0.032
local terms energy: -116.918301
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -32.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -347.101280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.101280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.101280 (E_RNA)
where:
Base-Base interactions energy: -236.809
where: short stacking energy: -108.038
Base-Backbone interact. energy: -0.299
local terms energy: -109.992579
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -32.460
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: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -309.184723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.184723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.184723 (E_RNA)
where:
Base-Base interactions energy: -199.326
where: short stacking energy: -98.081
Base-Backbone interact. energy: 0.408
local terms energy: -110.266855
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -21.438
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: 4, replica: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -289.465528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.465528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.465528 (E_RNA)
where:
Base-Base interactions energy: -181.926
where: short stacking energy: -84.479
Base-Backbone interact. energy: -0.456
local terms energy: -107.083384
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -15.209
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: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -291.035250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.035250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.035250 (E_RNA)
where:
Base-Base interactions energy: -182.452
where: short stacking energy: -89.540
Base-Backbone interact. energy: -0.035
local terms energy: -108.548183
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -250.713541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.713541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.713541 (E_RNA)
where:
Base-Base interactions energy: -151.837
where: short stacking energy: -79.083
Base-Backbone interact. energy: -0.133
local terms energy: -98.744085
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -230.149558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.149558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.149558 (E_RNA)
where:
Base-Base interactions energy: -136.040
where: short stacking energy: -76.326
Base-Backbone interact. energy: 0.132
local terms energy: -94.241320
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -197.693215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.693215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.693215 (E_RNA)
where:
Base-Base interactions energy: -117.502
where: short stacking energy: -48.053
Base-Backbone interact. energy: -1.111
local terms energy: -79.079657
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -206.794717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.794717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.794717 (E_RNA)
where:
Base-Base interactions energy: -120.814
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.071
local terms energy: -85.909860
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -8.144
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: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -103.732498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.732498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.732498 (E_RNA)
where:
Base-Base interactions energy: -38.369
where: short stacking energy: -37.675
Base-Backbone interact. energy: -0.207
local terms energy: -65.156597
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -356.255425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.255425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.255425 (E_RNA)
where:
Base-Base interactions energy: -233.333
where: short stacking energy: -112.129
Base-Backbone interact. energy: -1.060
local terms energy: -121.862509
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: -31.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -345.918497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.918497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.918497 (E_RNA)
where:
Base-Base interactions energy: -236.087
where: short stacking energy: -110.464
Base-Backbone interact. energy: -0.207
local terms energy: -109.624372
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -33.718
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: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -302.358979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.358979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.358979 (E_RNA)
where:
Base-Base interactions energy: -190.797
where: short stacking energy: -95.195
Base-Backbone interact. energy: 1.593
local terms energy: -113.155131
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -25.381
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -25.469
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: 258
Temperature: 1.050000
Total energy: -282.808471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.808471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.808471 (E_RNA)
where:
Base-Base interactions energy: -178.711
where: short stacking energy: -88.216
Base-Backbone interact. energy: -0.105
local terms energy: -103.992944
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -262.896655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.896655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.896655 (E_RNA)
where:
Base-Base interactions energy: -172.111
where: short stacking energy: -93.044
Base-Backbone interact. energy: -0.188
local terms energy: -90.597700
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -287.944226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.944226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.944226 (E_RNA)
where:
Base-Base interactions energy: -185.542
where: short stacking energy: -79.801
Base-Backbone interact. energy: -0.067
local terms energy: -102.335164
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -221.544235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.544235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.544235 (E_RNA)
where:
Base-Base interactions energy: -126.738
where: short stacking energy: -61.491
Base-Backbone interact. energy: -1.111
local terms energy: -93.695178
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -231.501185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.501185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.501185 (E_RNA)
where:
Base-Base interactions energy: -147.720
where: short stacking energy: -67.529
Base-Backbone interact. energy: 0.213
local terms energy: -83.994011
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -210.214422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.214422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.214422 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -71.660
Base-Backbone interact. energy: 2.262
local terms energy: -78.605530
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -25.045
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -110.176600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.176600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.176600 (E_RNA)
where:
Base-Base interactions energy: -39.515
where: short stacking energy: -39.515
Base-Backbone interact. energy: 1.127
local terms energy: -71.788668
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -361.881413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.881413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.881413 (E_RNA)
where:
Base-Base interactions energy: -232.557
where: short stacking energy: -109.946
Base-Backbone interact. energy: -0.006
local terms energy: -129.318542
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -35.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -317.265576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.265576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.265576 (E_RNA)
where:
Base-Base interactions energy: -203.666
where: short stacking energy: -89.235
Base-Backbone interact. energy: -0.102
local terms energy: -113.497240
where:
bonds (distance) C4'-P energy: -24.399
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -25.642
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: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -301.196539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.196539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.196539 (E_RNA)
where:
Base-Base interactions energy: -190.468
where: short stacking energy: -94.363
Base-Backbone interact. energy: -0.615
local terms energy: -110.113448
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -22.769
flat angles C4'-P-C4' energy: -23.486
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -24.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -257.252245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.252245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.252245 (E_RNA)
where:
Base-Base interactions energy: -149.133
where: short stacking energy: -68.539
Base-Backbone interact. energy: -0.662
local terms energy: -107.457619
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -281.366318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.366318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.366318 (E_RNA)
where:
Base-Base interactions energy: -185.284
where: short stacking energy: -87.060
Base-Backbone interact. energy: -0.227
local terms energy: -95.854947
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -25.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -289.162640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.162640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.162640 (E_RNA)
where:
Base-Base interactions energy: -180.138
where: short stacking energy: -81.604
Base-Backbone interact. energy: -0.192
local terms energy: -108.832915
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: -22.425
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: 259
Temperature: 1.200000
Total energy: -230.885434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.885434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.885434 (E_RNA)
where:
Base-Base interactions energy: -149.250
where: short stacking energy: -63.659
Base-Backbone interact. energy: -0.117
local terms energy: -81.519131
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -9.100
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: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -232.267470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.267470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.267470 (E_RNA)
where:
Base-Base interactions energy: -149.852
where: short stacking energy: -74.971
Base-Backbone interact. energy: -0.147
local terms energy: -82.268562
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -211.275497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.275497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.275497 (E_RNA)
where:
Base-Base interactions energy: -122.568
where: short stacking energy: -56.706
Base-Backbone interact. energy: -0.143
local terms energy: -88.564890
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -112.781010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.781010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.781010 (E_RNA)
where:
Base-Base interactions energy: -30.748
where: short stacking energy: -27.666
Base-Backbone interact. energy: 0.138
local terms energy: -82.170428
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -363.930953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.930953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.930953 (E_RNA)
where:
Base-Base interactions energy: -236.604
where: short stacking energy: -107.666
Base-Backbone interact. energy: -0.340
local terms energy: -126.987447
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -37.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -328.990812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.990812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.990812 (E_RNA)
where:
Base-Base interactions energy: -220.591
where: short stacking energy: -96.071
Base-Backbone interact. energy: -0.125
local terms energy: -108.275076
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -26.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -288.794085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.794085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.794085 (E_RNA)
where:
Base-Base interactions energy: -180.651
where: short stacking energy: -95.006
Base-Backbone interact. energy: -1.033
local terms energy: -107.110212
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -305.001664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.001664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.001664 (E_RNA)
where:
Base-Base interactions energy: -195.292
where: short stacking energy: -91.426
Base-Backbone interact. energy: -0.878
local terms energy: -108.832119
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -26.310
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: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -293.843032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.843032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.843032 (E_RNA)
where:
Base-Base interactions energy: -186.323
where: short stacking energy: -92.368
Base-Backbone interact. energy: -0.099
local terms energy: -107.421205
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -283.594050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.594050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.594050 (E_RNA)
where:
Base-Base interactions energy: -177.857
where: short stacking energy: -79.997
Base-Backbone interact. energy: -0.450
local terms energy: -105.287175
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -219.544203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.544203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.544203 (E_RNA)
where:
Base-Base interactions energy: -128.111
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.070
local terms energy: -91.363810
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -218.858683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.858683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.858683 (E_RNA)
where:
Base-Base interactions energy: -128.039
where: short stacking energy: -54.021
Base-Backbone interact. energy: -1.572
local terms energy: -89.248145
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -7.868
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: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -225.659334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.659334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.659334 (E_RNA)
where:
Base-Base interactions energy: -135.258
where: short stacking energy: -66.441
Base-Backbone interact. energy: 0.683
local terms energy: -91.084330
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -107.863255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.863255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.863255 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -31.672
Base-Backbone interact. energy: 1.602
local terms energy: -75.382106
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -355.893704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.893704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.893704 (E_RNA)
where:
Base-Base interactions energy: -233.028
where: short stacking energy: -102.651
Base-Backbone interact. energy: -0.868
local terms energy: -121.998326
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -25.834
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -32.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -322.301401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.301401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.301401 (E_RNA)
where:
Base-Base interactions energy: -215.946
where: short stacking energy: -93.481
Base-Backbone interact. energy: -0.117
local terms energy: -106.237868
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -282.493601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.493601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.493601 (E_RNA)
where:
Base-Base interactions energy: -165.199
where: short stacking energy: -95.555
Base-Backbone interact. energy: -0.243
local terms energy: -117.050957
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -24.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -293.929946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.929946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.929946 (E_RNA)
where:
Base-Base interactions energy: -184.230
where: short stacking energy: -85.903
Base-Backbone interact. energy: -0.109
local terms energy: -109.590556
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -24.085
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: 261
Temperature: 1.100000
Total energy: -296.808747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.808747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.808747 (E_RNA)
where:
Base-Base interactions energy: -194.390
where: short stacking energy: -94.418
Base-Backbone interact. energy: -0.184
local terms energy: -102.234785
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -24.692
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -28.225
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: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -292.230752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.230752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.230752 (E_RNA)
where:
Base-Base interactions energy: -180.928
where: short stacking energy: -83.849
Base-Backbone interact. energy: -1.271
local terms energy: -110.030990
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -15.611
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: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -226.432474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.432474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.432474 (E_RNA)
where:
Base-Base interactions energy: -135.197
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.791
local terms energy: -90.444891
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -212.120894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.120894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.120894 (E_RNA)
where:
Base-Base interactions energy: -115.541
where: short stacking energy: -60.815
Base-Backbone interact. energy: 0.437
local terms energy: -97.016449
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -216.723450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.723450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.723450 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -62.539
Base-Backbone interact. energy: -0.259
local terms energy: -93.392562
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -108.497007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.497007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.497007 (E_RNA)
where:
Base-Base interactions energy: -32.896
where: short stacking energy: -32.004
Base-Backbone interact. energy: -0.115
local terms energy: -75.486021
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -10.683
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: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -328.259497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.259497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.259497 (E_RNA)
where:
Base-Base interactions energy: -218.338
where: short stacking energy: -98.498
Base-Backbone interact. energy: -0.109
local terms energy: -109.811612
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -27.692
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: 262
Temperature: 0.950000
Total energy: -358.480338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.480338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.480338 (E_RNA)
where:
Base-Base interactions energy: -235.291
where: short stacking energy: -109.980
Base-Backbone interact. energy: -0.072
local terms energy: -123.117813
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -31.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -311.732813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.732813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.732813 (E_RNA)
where:
Base-Base interactions energy: -212.156
where: short stacking energy: -90.791
Base-Backbone interact. energy: -0.221
local terms energy: -99.355705
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -26.739
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -274.641012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.641012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.641012 (E_RNA)
where:
Base-Base interactions energy: -168.829
where: short stacking energy: -82.476
Base-Backbone interact. energy: -0.123
local terms energy: -105.688937
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -23.811
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -307.328872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.328872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.328872 (E_RNA)
where:
Base-Base interactions energy: -200.792
where: short stacking energy: -106.075
Base-Backbone interact. energy: -0.036
local terms energy: -106.501052
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -31.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -265.932955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.932955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.932955 (E_RNA)
where:
Base-Base interactions energy: -162.774
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.925
local terms energy: -102.234384
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -24.475
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -230.610896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.610896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.610896 (E_RNA)
where:
Base-Base interactions energy: -129.970
where: short stacking energy: -72.859
Base-Backbone interact. energy: 1.276
local terms energy: -101.917414
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -228.809666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.809666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.809666 (E_RNA)
where:
Base-Base interactions energy: -138.632
where: short stacking energy: -67.915
Base-Backbone interact. energy: -0.264
local terms energy: -89.914394
where:
bonds (distance) C4'-P energy: -21.617
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -10.092
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: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -214.574452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.574452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.574452 (E_RNA)
where:
Base-Base interactions energy: -131.458
where: short stacking energy: -60.893
Base-Backbone interact. energy: 0.013
local terms energy: -83.129683
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -111.855186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.855186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.855186 (E_RNA)
where:
Base-Base interactions energy: -44.006
where: short stacking energy: -30.096
Base-Backbone interact. energy: -0.521
local terms energy: -67.328010
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: 0.054
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: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -337.237418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.237418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.237418 (E_RNA)
where:
Base-Base interactions energy: -215.416
where: short stacking energy: -106.528
Base-Backbone interact. energy: -0.132
local terms energy: -121.689972
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -27.686
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: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -325.870821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.870821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.870821 (E_RNA)
where:
Base-Base interactions energy: -214.064
where: short stacking energy: -97.594
Base-Backbone interact. energy: -0.148
local terms energy: -111.658731
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -27.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -343.245915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.245915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.245915 (E_RNA)
where:
Base-Base interactions energy: -231.433
where: short stacking energy: -109.129
Base-Backbone interact. energy: -0.149
local terms energy: -111.664216
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -31.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -298.242015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.242015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.242015 (E_RNA)
where:
Base-Base interactions energy: -191.837
where: short stacking energy: -93.888
Base-Backbone interact. energy: -0.050
local terms energy: -106.354516
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -24.776
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -26.575
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: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -255.762459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.762459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.762459 (E_RNA)
where:
Base-Base interactions energy: -160.036
where: short stacking energy: -80.516
Base-Backbone interact. energy: 1.362
local terms energy: -97.088820
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -19.454
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: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -271.190032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.190032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.190032 (E_RNA)
where:
Base-Base interactions energy: -166.930
where: short stacking energy: -86.301
Base-Backbone interact. energy: -0.005
local terms energy: -104.255217
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -25.895
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: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -221.448455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.448455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.448455 (E_RNA)
where:
Base-Base interactions energy: -134.138
where: short stacking energy: -66.382
Base-Backbone interact. energy: 0.802
local terms energy: -88.112333
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -237.185578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.185578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.185578 (E_RNA)
where:
Base-Base interactions energy: -142.379
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.230
local terms energy: -94.576838
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -27.588
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -215.167153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.167153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.167153 (E_RNA)
where:
Base-Base interactions energy: -132.179
where: short stacking energy: -53.112
Base-Backbone interact. energy: -0.045
local terms energy: -82.943519
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -12.251
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: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -114.634039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.634039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.634039 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -34.107
Base-Backbone interact. energy: -0.143
local terms energy: -78.871748
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -6.163
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: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -341.296325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.296325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.296325 (E_RNA)
where:
Base-Base interactions energy: -223.824
where: short stacking energy: -111.433
Base-Backbone interact. energy: -0.041
local terms energy: -117.430632
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -30.781
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: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -328.654062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.654062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.654062 (E_RNA)
where:
Base-Base interactions energy: -209.746
where: short stacking energy: -106.144
Base-Backbone interact. energy: -0.087
local terms energy: -118.821206
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -32.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -312.725138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.725138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.725138 (E_RNA)
where:
Base-Base interactions energy: -202.994
where: short stacking energy: -81.424
Base-Backbone interact. energy: -0.176
local terms energy: -109.554943
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -298.098226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.098226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.098226 (E_RNA)
where:
Base-Base interactions energy: -195.406
where: short stacking energy: -88.021
Base-Backbone interact. energy: -0.293
local terms energy: -102.399675
where:
bonds (distance) C4'-P energy: -22.026
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -269.101751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.101751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.101751 (E_RNA)
where:
Base-Base interactions energy: -169.427
where: short stacking energy: -79.897
Base-Backbone interact. energy: -0.122
local terms energy: -99.552287
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -17.283
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: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -239.141611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.141611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.141611 (E_RNA)
where:
Base-Base interactions energy: -145.559
where: short stacking energy: -79.418
Base-Backbone interact. energy: -0.122
local terms energy: -93.461076
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -228.608598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.608598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.608598 (E_RNA)
where:
Base-Base interactions energy: -129.144
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.589
local terms energy: -98.875173
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -17.360
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: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -220.651785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.651785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.651785 (E_RNA)
where:
Base-Base interactions energy: -137.710
where: short stacking energy: -57.342
Base-Backbone interact. energy: -0.223
local terms energy: -82.718942
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -204.739029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.739029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.739029 (E_RNA)
where:
Base-Base interactions energy: -127.305
where: short stacking energy: -60.257
Base-Backbone interact. energy: -0.289
local terms energy: -77.144348
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -9.920
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: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -107.627884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.627884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.627884 (E_RNA)
where:
Base-Base interactions energy: -39.006
where: short stacking energy: -32.049
Base-Backbone interact. energy: -1.227
local terms energy: -67.394859
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -331.170195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.170195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.170195 (E_RNA)
where:
Base-Base interactions energy: -212.962
where: short stacking energy: -96.479
Base-Backbone interact. energy: -0.177
local terms energy: -118.030584
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -27.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -337.548677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.548677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.548677 (E_RNA)
where:
Base-Base interactions energy: -215.838
where: short stacking energy: -105.166
Base-Backbone interact. energy: -0.200
local terms energy: -121.510173
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -29.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -298.231654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.231654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.231654 (E_RNA)
where:
Base-Base interactions energy: -180.012
where: short stacking energy: -91.058
Base-Backbone interact. energy: -0.106
local terms energy: -118.114163
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -26.811
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: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -303.983698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.983698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.983698 (E_RNA)
where:
Base-Base interactions energy: -188.420
where: short stacking energy: -80.947
Base-Backbone interact. energy: -0.726
local terms energy: -114.837653
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -263.049845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.049845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.049845 (E_RNA)
where:
Base-Base interactions energy: -161.591
where: short stacking energy: -75.230
Base-Backbone interact. energy: 0.789
local terms energy: -102.247936
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -19.149
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -234.341419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.341419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.341419 (E_RNA)
where:
Base-Base interactions energy: -134.273
where: short stacking energy: -68.512
Base-Backbone interact. energy: -0.261
local terms energy: -99.807388
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -20.132
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: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -219.150611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.150611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.150611 (E_RNA)
where:
Base-Base interactions energy: -137.758
where: short stacking energy: -72.169
Base-Backbone interact. energy: 0.312
local terms energy: -81.704860
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -229.191385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.191385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.191385 (E_RNA)
where:
Base-Base interactions energy: -139.098
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.149
local terms energy: -89.943864
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -12.148
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: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -208.092769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.092769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.092769 (E_RNA)
where:
Base-Base interactions energy: -122.043
where: short stacking energy: -54.009
Base-Backbone interact. energy: -0.202
local terms energy: -85.847425
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -124.273299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.273299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.273299 (E_RNA)
where:
Base-Base interactions energy: -48.038
where: short stacking energy: -42.336
Base-Backbone interact. energy: -0.264
local terms energy: -75.971193
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -14.950
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: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -343.130405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.130405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.130405 (E_RNA)
where:
Base-Base interactions energy: -228.056
where: short stacking energy: -108.081
Base-Backbone interact. energy: -0.523
local terms energy: -114.551944
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -30.271
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: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -352.280351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.280351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.280351 (E_RNA)
where:
Base-Base interactions energy: -234.010
where: short stacking energy: -107.189
Base-Backbone interact. energy: -0.002
local terms energy: -118.268123
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -25.493
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -33.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -312.327242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.327242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.327242 (E_RNA)
where:
Base-Base interactions energy: -198.196
where: short stacking energy: -97.193
Base-Backbone interact. energy: -0.181
local terms energy: -113.949415
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -28.704
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -31.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -314.497551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.497551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.497551 (E_RNA)
where:
Base-Base interactions energy: -211.512
where: short stacking energy: -90.864
Base-Backbone interact. energy: -0.042
local terms energy: -102.943244
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -24.184
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: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -258.944213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.944213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.944213 (E_RNA)
where:
Base-Base interactions energy: -161.274
where: short stacking energy: -69.799
Base-Backbone interact. energy: 1.331
local terms energy: -99.000952
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -249.004942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.004942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.004942 (E_RNA)
where:
Base-Base interactions energy: -151.968
where: short stacking energy: -77.660
Base-Backbone interact. energy: -0.912
local terms energy: -96.124875
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -21.098
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: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -232.718932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.718932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.718932 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -70.526
Base-Backbone interact. energy: -0.052
local terms energy: -85.522878
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -10.189
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: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -201.137719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.137719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.137719 (E_RNA)
where:
Base-Base interactions energy: -126.995
where: short stacking energy: -48.067
Base-Backbone interact. energy: -0.574
local terms energy: -73.568303
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -200.037617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.037617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.037617 (E_RNA)
where:
Base-Base interactions energy: -125.564
where: short stacking energy: -47.901
Base-Backbone interact. energy: -0.410
local terms energy: -74.062805
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -16.384
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: 10, replica: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -168.975333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.975333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.975333 (E_RNA)
where:
Base-Base interactions energy: -94.974
where: short stacking energy: -40.827
Base-Backbone interact. energy: -0.384
local terms energy: -73.617686
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -3.681
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: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -346.913490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.913490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.913490 (E_RNA)
where:
Base-Base interactions energy: -222.556
where: short stacking energy: -112.430
Base-Backbone interact. energy: -0.147
local terms energy: -124.210526
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -26.596
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -32.303
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: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -354.082609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.082609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.082609 (E_RNA)
where:
Base-Base interactions energy: -237.712
where: short stacking energy: -109.762
Base-Backbone interact. energy: -0.041
local terms energy: -116.328955
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -33.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -307.278646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.278646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.278646 (E_RNA)
where:
Base-Base interactions energy: -185.898
where: short stacking energy: -102.181
Base-Backbone interact. energy: 0.393
local terms energy: -121.773547
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -31.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -309.261827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.261827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.261827 (E_RNA)
where:
Base-Base interactions energy: -213.597
where: short stacking energy: -84.949
Base-Backbone interact. energy: -0.298
local terms energy: -95.366606
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -8.939
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: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -243.998067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.998067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.998067 (E_RNA)
where:
Base-Base interactions energy: -146.347
where: short stacking energy: -70.475
Base-Backbone interact. energy: -0.082
local terms energy: -97.568572
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -246.868360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.868360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.868360 (E_RNA)
where:
Base-Base interactions energy: -150.938
where: short stacking energy: -71.137
Base-Backbone interact. energy: -0.003
local terms energy: -95.926985
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -250.732223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.732223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.732223 (E_RNA)
where:
Base-Base interactions energy: -157.584
where: short stacking energy: -81.132
Base-Backbone interact. energy: -0.025
local terms energy: -93.123646
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -217.578512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.578512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.578512 (E_RNA)
where:
Base-Base interactions energy: -137.476
where: short stacking energy: -55.769
Base-Backbone interact. energy: -0.149
local terms energy: -79.953058
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -157.469713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.469713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.469713 (E_RNA)
where:
Base-Base interactions energy: -84.840
where: short stacking energy: -44.851
Base-Backbone interact. energy: -0.294
local terms energy: -72.335323
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -169.309532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.309532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.309532 (E_RNA)
where:
Base-Base interactions energy: -93.789
where: short stacking energy: -52.030
Base-Backbone interact. energy: -0.336
local terms energy: -75.184279
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -9.748
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: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -351.472545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.472545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.472545 (E_RNA)
where:
Base-Base interactions energy: -232.630
where: short stacking energy: -108.609
Base-Backbone interact. energy: -0.088
local terms energy: -118.754497
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -30.078
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: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -331.058765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.058765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.058765 (E_RNA)
where:
Base-Base interactions energy: -219.873
where: short stacking energy: -93.273
Base-Backbone interact. energy: -1.057
local terms energy: -110.128657
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -31.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -315.358972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.358972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.358972 (E_RNA)
where:
Base-Base interactions energy: -207.304
where: short stacking energy: -86.788
Base-Backbone interact. energy: -0.052
local terms energy: -108.002400
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -22.680
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: 268
Temperature: 1.050000
Total energy: -304.898989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.898989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.898989 (E_RNA)
where:
Base-Base interactions energy: -200.054
where: short stacking energy: -98.313
Base-Backbone interact. energy: -0.343
local terms energy: -104.501535
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -25.591
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: 268
Temperature: 1.100000
Total energy: -246.116989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.116989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.116989 (E_RNA)
where:
Base-Base interactions energy: -139.391
where: short stacking energy: -78.227
Base-Backbone interact. energy: -0.810
local terms energy: -105.916619
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -250.999002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.999002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.999002 (E_RNA)
where:
Base-Base interactions energy: -153.892
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.274
local terms energy: -96.832838
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -254.125799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.125799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.125799 (E_RNA)
where:
Base-Base interactions energy: -153.422
where: short stacking energy: -71.045
Base-Backbone interact. energy: -0.288
local terms energy: -100.415222
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -18.114
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: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -244.060668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.060668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.060668 (E_RNA)
where:
Base-Base interactions energy: -143.406
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.089
local terms energy: -100.566174
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -177.934297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.934297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.934297 (E_RNA)
where:
Base-Base interactions energy: -100.743
where: short stacking energy: -37.457
Base-Backbone interact. energy: -0.217
local terms energy: -76.973908
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -185.023444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.023444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.023444 (E_RNA)
where:
Base-Base interactions energy: -112.413
where: short stacking energy: -48.968
Base-Backbone interact. energy: -0.608
local terms energy: -72.002237
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -373.988640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.988640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.988640 (E_RNA)
where:
Base-Base interactions energy: -247.464
where: short stacking energy: -115.539
Base-Backbone interact. energy: -0.021
local terms energy: -126.503640
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -39.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -334.325103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.325103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.325103 (E_RNA)
where:
Base-Base interactions energy: -213.063
where: short stacking energy: -107.973
Base-Backbone interact. energy: -0.008
local terms energy: -121.254376
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -33.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -329.972467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.972467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.972467 (E_RNA)
where:
Base-Base interactions energy: -215.561
where: short stacking energy: -98.515
Base-Backbone interact. energy: 2.053
local terms energy: -116.463912
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -31.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -311.296636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.296636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.296636 (E_RNA)
where:
Base-Base interactions energy: -205.259
where: short stacking energy: -101.252
Base-Backbone interact. energy: -0.181
local terms energy: -105.856664
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -30.144
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: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -242.814516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.814516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.814516 (E_RNA)
where:
Base-Base interactions energy: -140.078
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.226
local terms energy: -102.510298
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -252.817846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.817846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.817846 (E_RNA)
where:
Base-Base interactions energy: -165.690
where: short stacking energy: -78.750
Base-Backbone interact. energy: 0.083
local terms energy: -87.211672
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -8.733
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: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -233.884088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.884088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.884088 (E_RNA)
where:
Base-Base interactions energy: -154.936
where: short stacking energy: -70.314
Base-Backbone interact. energy: 0.343
local terms energy: -79.290390
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -207.411241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.411241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.411241 (E_RNA)
where:
Base-Base interactions energy: -121.861
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.408
local terms energy: -85.142605
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -19.419
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -168.904013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.904013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.904013 (E_RNA)
where:
Base-Base interactions energy: -91.857
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.233
local terms energy: -76.813671
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -178.118318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.118318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.118318 (E_RNA)
where:
Base-Base interactions energy: -108.209
where: short stacking energy: -47.694
Base-Backbone interact. energy: 0.670
local terms energy: -70.579312
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -25.974
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -0.706
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: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -374.052875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.052875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.052875 (E_RNA)
where:
Base-Base interactions energy: -255.291
where: short stacking energy: -119.411
Base-Backbone interact. energy: -0.086
local terms energy: -118.675679
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -35.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -332.068776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.068776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.068776 (E_RNA)
where:
Base-Base interactions energy: -217.359
where: short stacking energy: -103.762
Base-Backbone interact. energy: -0.058
local terms energy: -114.650895
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -23.978
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -30.594
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: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -313.011575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.011575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.011575 (E_RNA)
where:
Base-Base interactions energy: -197.575
where: short stacking energy: -96.511
Base-Backbone interact. energy: -0.092
local terms energy: -115.344630
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -29.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -314.376403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.376403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.376403 (E_RNA)
where:
Base-Base interactions energy: -202.622
where: short stacking energy: -93.566
Base-Backbone interact. energy: -0.027
local terms energy: -111.727110
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -27.527
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -29.575
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: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -253.119825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.119825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.119825 (E_RNA)
where:
Base-Base interactions energy: -161.874
where: short stacking energy: -78.591
Base-Backbone interact. energy: -0.138
local terms energy: -91.107949
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -10.834
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: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -258.695803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.695803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.695803 (E_RNA)
where:
Base-Base interactions energy: -153.952
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.550
local terms energy: -104.193978
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -231.439380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.439380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.439380 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.243
local terms energy: -93.074039
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -13.513
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: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -217.949048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.949048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.949048 (E_RNA)
where:
Base-Base interactions energy: -125.996
where: short stacking energy: -71.166
Base-Backbone interact. energy: -0.164
local terms energy: -91.788446
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -200.986676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.986676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.986676 (E_RNA)
where:
Base-Base interactions energy: -125.624
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.322
local terms energy: -75.041097
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -212.902948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.902948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.902948 (E_RNA)
where:
Base-Base interactions energy: -136.330
where: short stacking energy: -68.578
Base-Backbone interact. energy: -0.473
local terms energy: -76.099416
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -12.142
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: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -370.378516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.378516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.378516 (E_RNA)
where:
Base-Base interactions energy: -240.563
where: short stacking energy: -116.544
Base-Backbone interact. energy: -0.124
local terms energy: -129.691891
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -35.285
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: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -318.738554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.738554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.738554 (E_RNA)
where:
Base-Base interactions energy: -201.225
where: short stacking energy: -102.220
Base-Backbone interact. energy: -0.077
local terms energy: -117.435926
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -303.807518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.807518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.807518 (E_RNA)
where:
Base-Base interactions energy: -191.862
where: short stacking energy: -82.738
Base-Backbone interact. energy: -1.783
local terms energy: -110.163175
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -27.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -263.361730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.361730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.361730 (E_RNA)
where:
Base-Base interactions energy: -176.074
where: short stacking energy: -70.397
Base-Backbone interact. energy: 5.601
local terms energy: -92.888690
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -262.062754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.062754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.062754 (E_RNA)
where:
Base-Base interactions energy: -158.016
where: short stacking energy: -84.973
Base-Backbone interact. energy: -0.026
local terms energy: -104.020968
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -277.594803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.594803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.594803 (E_RNA)
where:
Base-Base interactions energy: -182.788
where: short stacking energy: -90.224
Base-Backbone interact. energy: 0.167
local terms energy: -94.973347
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -237.875514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.875514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.875514 (E_RNA)
where:
Base-Base interactions energy: -148.642
where: short stacking energy: -67.532
Base-Backbone interact. energy: -0.243
local terms energy: -88.990399
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -13.697
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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -196.080331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.080331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.080331 (E_RNA)
where:
Base-Base interactions energy: -105.835
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.120
local terms energy: -90.125338
where:
bonds (distance) C4'-P energy: -24.643
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -12.791
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: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -210.567455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.567455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.567455 (E_RNA)
where:
Base-Base interactions energy: -123.145
where: short stacking energy: -49.629
Base-Backbone interact. energy: 1.148
local terms energy: -88.570698
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -200.679752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.679752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.679752 (E_RNA)
where:
Base-Base interactions energy: -126.505
where: short stacking energy: -55.948
Base-Backbone interact. energy: -0.363
local terms energy: -73.811485
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -367.158200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.158200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.158200 (E_RNA)
where:
Base-Base interactions energy: -238.673
where: short stacking energy: -109.807
Base-Backbone interact. energy: -0.008
local terms energy: -128.476869
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: -34.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -326.774349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.774349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.774349 (E_RNA)
where:
Base-Base interactions energy: -199.638
where: short stacking energy: -97.334
Base-Backbone interact. energy: -0.029
local terms energy: -127.107102
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -29.802
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: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -305.248021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.248021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.248021 (E_RNA)
where:
Base-Base interactions energy: -198.303
where: short stacking energy: -90.714
Base-Backbone interact. energy: -0.151
local terms energy: -106.794696
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -27.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -271.087054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.087054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.087054 (E_RNA)
where:
Base-Base interactions energy: -177.469
where: short stacking energy: -77.059
Base-Backbone interact. energy: 0.097
local terms energy: -93.715030
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -13.258
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: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -268.393129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.393129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.393129 (E_RNA)
where:
Base-Base interactions energy: -166.325
where: short stacking energy: -77.135
Base-Backbone interact. energy: -0.211
local terms energy: -101.856494
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -251.252324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.252324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.252324 (E_RNA)
where:
Base-Base interactions energy: -150.080
where: short stacking energy: -83.101
Base-Backbone interact. energy: -0.002
local terms energy: -101.170384
where:
bonds (distance) C4'-P energy: -24.382
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -11.047
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: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -185.243382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.243382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.243382 (E_RNA)
where:
Base-Base interactions energy: -108.162
where: short stacking energy: -46.616
Base-Backbone interact. energy: -0.397
local terms energy: -76.685189
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -11.198
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: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -233.975709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.975709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.975709 (E_RNA)
where:
Base-Base interactions energy: -138.616
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.222
local terms energy: -95.138299
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -14.442
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: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -218.898828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.898828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.898828 (E_RNA)
where:
Base-Base interactions energy: -149.877
where: short stacking energy: -60.869
Base-Backbone interact. energy: 0.822
local terms energy: -69.844032
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -212.570940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.570940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.570940 (E_RNA)
where:
Base-Base interactions energy: -134.929
where: short stacking energy: -62.148
Base-Backbone interact. energy: 0.365
local terms energy: -78.006776
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -365.067055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.067055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.067055 (E_RNA)
where:
Base-Base interactions energy: -239.402
where: short stacking energy: -101.754
Base-Backbone interact. energy: 0.328
local terms energy: -125.992424
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -25.029
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -33.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -313.300124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.300124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.300124 (E_RNA)
where:
Base-Base interactions energy: -209.726
where: short stacking energy: -103.088
Base-Backbone interact. energy: -0.085
local terms energy: -103.489412
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -24.613
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -28.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -311.675681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.675681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.675681 (E_RNA)
where:
Base-Base interactions energy: -196.049
where: short stacking energy: -95.009
Base-Backbone interact. energy: 0.890
local terms energy: -116.516820
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -28.071
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: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -293.877420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.877420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.877420 (E_RNA)
where:
Base-Base interactions energy: -186.513
where: short stacking energy: -86.433
Base-Backbone interact. energy: 0.361
local terms energy: -107.725387
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -294.282168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.282168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.282168 (E_RNA)
where:
Base-Base interactions energy: -195.358
where: short stacking energy: -83.409
Base-Backbone interact. energy: -0.040
local terms energy: -98.883510
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -21.571
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: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -264.757849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.757849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.757849 (E_RNA)
where:
Base-Base interactions energy: -159.364
where: short stacking energy: -67.293
Base-Backbone interact. energy: 0.593
local terms energy: -105.986899
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -13.861
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: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -204.903209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.903209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.903209 (E_RNA)
where:
Base-Base interactions energy: -121.244
where: short stacking energy: -60.866
Base-Backbone interact. energy: 2.247
local terms energy: -85.906204
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -23.112
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -217.070044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.070044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.070044 (E_RNA)
where:
Base-Base interactions energy: -132.019
where: short stacking energy: -69.337
Base-Backbone interact. energy: -0.879
local terms energy: -84.171619
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -200.230775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.230775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.230775 (E_RNA)
where:
Base-Base interactions energy: -119.643
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.562
local terms energy: -80.025481
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -223.217770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.217770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.217770 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.032
local terms energy: -92.780555
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -379.706184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.706184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.706184 (E_RNA)
where:
Base-Base interactions energy: -246.093
where: short stacking energy: -113.319
Base-Backbone interact. energy: -0.580
local terms energy: -133.033044
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -37.454
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: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -323.128864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.128864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.128864 (E_RNA)
where:
Base-Base interactions energy: -201.547
where: short stacking energy: -101.637
Base-Backbone interact. energy: -0.016
local terms energy: -121.565837
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -25.619
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -315.850869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.850869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.850869 (E_RNA)
where:
Base-Base interactions energy: -202.210
where: short stacking energy: -103.779
Base-Backbone interact. energy: -0.099
local terms energy: -113.541671
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -32.975
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: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -274.453501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.453501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.453501 (E_RNA)
where:
Base-Base interactions energy: -167.890
where: short stacking energy: -81.147
Base-Backbone interact. energy: 1.022
local terms energy: -107.585406
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -27.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -302.098314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.098314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.098314 (E_RNA)
where:
Base-Base interactions energy: -203.456
where: short stacking energy: -99.108
Base-Backbone interact. energy: -0.018
local terms energy: -98.624953
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -243.746937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.746937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.746937 (E_RNA)
where:
Base-Base interactions energy: -149.926
where: short stacking energy: -82.108
Base-Backbone interact. energy: -0.154
local terms energy: -93.667093
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -223.279229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.279229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279229 (E_RNA)
where:
Base-Base interactions energy: -135.146
where: short stacking energy: -63.553
Base-Backbone interact. energy: 0.135
local terms energy: -88.267640
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -239.792037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.792037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.792037 (E_RNA)
where:
Base-Base interactions energy: -143.740
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.060
local terms energy: -95.991873
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -23.267
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -220.921971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.921971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.921971 (E_RNA)
where:
Base-Base interactions energy: -130.894
where: short stacking energy: -68.713
Base-Backbone interact. energy: -0.128
local terms energy: -89.899705
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -12.170
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: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -198.686573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.686573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.686573 (E_RNA)
where:
Base-Base interactions energy: -117.544
where: short stacking energy: -63.106
Base-Backbone interact. energy: -0.117
local terms energy: -81.024855
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -10.334
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: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -371.164512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.164512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.164512 (E_RNA)
where:
Base-Base interactions energy: -244.598
where: short stacking energy: -111.914
Base-Backbone interact. energy: -0.236
local terms energy: -126.329700
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: -34.859
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: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -327.754721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.754721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.754721 (E_RNA)
where:
Base-Base interactions energy: -209.635
where: short stacking energy: -108.335
Base-Backbone interact. energy: -0.555
local terms energy: -117.564221
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -317.394941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.394941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.394941 (E_RNA)
where:
Base-Base interactions energy: -197.332
where: short stacking energy: -100.221
Base-Backbone interact. energy: -0.160
local terms energy: -119.902762
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -30.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -295.066708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.066708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.066708 (E_RNA)
where:
Base-Base interactions energy: -184.859
where: short stacking energy: -93.119
Base-Backbone interact. energy: -0.806
local terms energy: -109.401755
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -273.456711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.456711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.456711 (E_RNA)
where:
Base-Base interactions energy: -169.183
where: short stacking energy: -83.601
Base-Backbone interact. energy: -0.061
local terms energy: -104.212468
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -253.518981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.518981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.518981 (E_RNA)
where:
Base-Base interactions energy: -158.864
where: short stacking energy: -84.556
Base-Backbone interact. energy: -0.176
local terms energy: -94.479086
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -227.259481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.259481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.259481 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.165
local terms energy: -83.972463
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -220.219078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.219078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.219078 (E_RNA)
where:
Base-Base interactions energy: -127.814
where: short stacking energy: -63.816
Base-Backbone interact. energy: -0.135
local terms energy: -92.269278
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -14.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -224.996857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.996857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.996857 (E_RNA)
where:
Base-Base interactions energy: -148.300
where: short stacking energy: -66.409
Base-Backbone interact. energy: -0.142
local terms energy: -76.555493
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -7.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -212.520906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.520906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520906 (E_RNA)
where:
Base-Base interactions energy: -126.389
where: short stacking energy: -50.487
Base-Backbone interact. energy: 0.097
local terms energy: -86.228572
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -9.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -328.427447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.427447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.427447 (E_RNA)
where:
Base-Base interactions energy: -206.220
where: short stacking energy: -97.120
Base-Backbone interact. energy: -0.056
local terms energy: -122.150893
where:
bonds (distance) C4'-P energy: -27.847
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -25.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -358.379881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.379881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.379881 (E_RNA)
where:
Base-Base interactions energy: -242.180
where: short stacking energy: -106.532
Base-Backbone interact. energy: -0.298
local terms energy: -115.902195
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -24.123
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -31.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -304.660884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.660884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.660884 (E_RNA)
where:
Base-Base interactions energy: -199.014
where: short stacking energy: -94.535
Base-Backbone interact. energy: -0.136
local terms energy: -105.510663
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -305.378020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.378020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.378020 (E_RNA)
where:
Base-Base interactions energy: -205.845
where: short stacking energy: -102.877
Base-Backbone interact. energy: -0.079
local terms energy: -99.454125
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -29.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -256.895814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.895814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.895814 (E_RNA)
where:
Base-Base interactions energy: -156.402
where: short stacking energy: -69.435
Base-Backbone interact. energy: -0.230
local terms energy: -100.264607
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -239.112568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.112568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.112568 (E_RNA)
where:
Base-Base interactions energy: -146.469
where: short stacking energy: -80.506
Base-Backbone interact. energy: -1.045
local terms energy: -91.598392
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -14.638
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: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -240.136681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.136681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.136681 (E_RNA)
where:
Base-Base interactions energy: -153.942
where: short stacking energy: -72.763
Base-Backbone interact. energy: -0.253
local terms energy: -85.941880
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -245.523562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.523562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.523562 (E_RNA)
where:
Base-Base interactions energy: -152.547
where: short stacking energy: -75.480
Base-Backbone interact. energy: -0.162
local terms energy: -92.813732
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -21.236
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: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -209.985980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.985980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.985980 (E_RNA)
where:
Base-Base interactions energy: -129.776
where: short stacking energy: -69.590
Base-Backbone interact. energy: -0.561
local terms energy: -79.648820
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -10.887
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: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -210.757056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.757056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.757056 (E_RNA)
where:
Base-Base interactions energy: -133.073
where: short stacking energy: -51.780
Base-Backbone interact. energy: -0.228
local terms energy: -77.456918
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -342.768420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.768420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.768420 (E_RNA)
where:
Base-Base interactions energy: -229.107
where: short stacking energy: -113.247
Base-Backbone interact. energy: -0.056
local terms energy: -113.605656
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -32.770
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: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -365.739080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.739080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.739080 (E_RNA)
where:
Base-Base interactions energy: -241.065
where: short stacking energy: -113.436
Base-Backbone interact. energy: -0.100
local terms energy: -124.573873
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -33.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -310.429910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.429910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.429910 (E_RNA)
where:
Base-Base interactions energy: -202.577
where: short stacking energy: -101.382
Base-Backbone interact. energy: -0.005
local terms energy: -107.847807
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -27.054
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: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -299.095716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.095716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.095716 (E_RNA)
where:
Base-Base interactions energy: -190.513
where: short stacking energy: -89.900
Base-Backbone interact. energy: -0.066
local terms energy: -108.516800
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -260.223911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.223911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.223911 (E_RNA)
where:
Base-Base interactions energy: -170.013
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.856
local terms energy: -89.355057
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -15.930
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: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -253.263526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.263526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.263526 (E_RNA)
where:
Base-Base interactions energy: -147.171
where: short stacking energy: -68.241
Base-Backbone interact. energy: -0.035
local terms energy: -106.057014
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -18.689
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: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -226.376566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.376566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.376566 (E_RNA)
where:
Base-Base interactions energy: -128.493
where: short stacking energy: -63.556
Base-Backbone interact. energy: -1.346
local terms energy: -96.537367
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -245.246693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.246693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.246693 (E_RNA)
where:
Base-Base interactions energy: -162.567
where: short stacking energy: -74.224
Base-Backbone interact. energy: -0.209
local terms energy: -82.470670
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -217.223775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.223775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.223775 (E_RNA)
where:
Base-Base interactions energy: -125.097
where: short stacking energy: -66.764
Base-Backbone interact. energy: -0.133
local terms energy: -91.994467
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -225.894457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.894457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.894457 (E_RNA)
where:
Base-Base interactions energy: -140.472
where: short stacking energy: -71.951
Base-Backbone interact. energy: -0.129
local terms energy: -85.293866
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -9.905
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: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -354.211350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.211350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.211350 (E_RNA)
where:
Base-Base interactions energy: -223.725
where: short stacking energy: -103.673
Base-Backbone interact. energy: -0.213
local terms energy: -130.273219
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -27.605
flat angles C4'-P-C4' energy: -25.502
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -33.408
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: 278
Temperature: 0.950000
Total energy: -317.891514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.891514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.891514 (E_RNA)
where:
Base-Base interactions energy: -201.873
where: short stacking energy: -93.024
Base-Backbone interact. energy: -0.009
local terms energy: -116.009741
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -30.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -315.406079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.406079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.406079 (E_RNA)
where:
Base-Base interactions energy: -204.179
where: short stacking energy: -92.595
Base-Backbone interact. energy: 0.104
local terms energy: -111.331529
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -23.334
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: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -308.637454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.637454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.637454 (E_RNA)
where:
Base-Base interactions energy: -194.431
where: short stacking energy: -97.634
Base-Backbone interact. energy: 1.096
local terms energy: -115.302548
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -28.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -273.979904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.979904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.979904 (E_RNA)
where:
Base-Base interactions energy: -168.223
where: short stacking energy: -75.097
Base-Backbone interact. energy: -0.812
local terms energy: -104.945009
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -15.566
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: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -245.826111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.826111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.826111 (E_RNA)
where:
Base-Base interactions energy: -151.444
where: short stacking energy: -72.425
Base-Backbone interact. energy: -0.015
local terms energy: -94.367760
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -17.826
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: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -223.762653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.762653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.762653 (E_RNA)
where:
Base-Base interactions energy: -136.199
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.248
local terms energy: -87.315049
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -207.636832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.636832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.636832 (E_RNA)
where:
Base-Base interactions energy: -115.208
where: short stacking energy: -52.600
Base-Backbone interact. energy: 0.935
local terms energy: -93.364403
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -208.098470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.098470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.098470 (E_RNA)
where:
Base-Base interactions energy: -121.115
where: short stacking energy: -54.911
Base-Backbone interact. energy: -0.136
local terms energy: -86.847541
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -200.041434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.041434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.041434 (E_RNA)
where:
Base-Base interactions energy: -121.539
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.776
local terms energy: -77.726821
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -14.602
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: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -365.020635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.020635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.020635 (E_RNA)
where:
Base-Base interactions energy: -238.865
where: short stacking energy: -112.445
Base-Backbone interact. energy: -0.094
local terms energy: -126.061060
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -24.661
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -37.491
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: 279
Temperature: 0.950000
Total energy: -310.899225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.899225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.899225 (E_RNA)
where:
Base-Base interactions energy: -197.964
where: short stacking energy: -94.131
Base-Backbone interact. energy: -0.391
local terms energy: -112.544227
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -24.606
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -30.994
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: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -306.582253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.582253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.582253 (E_RNA)
where:
Base-Base interactions energy: -194.621
where: short stacking energy: -94.406
Base-Backbone interact. energy: -0.151
local terms energy: -111.810635
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -25.832
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: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -283.852109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.852109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.852109 (E_RNA)
where:
Base-Base interactions energy: -186.102
where: short stacking energy: -85.808
Base-Backbone interact. energy: -0.157
local terms energy: -97.592688
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -292.529357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.529357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.529357 (E_RNA)
where:
Base-Base interactions energy: -194.035
where: short stacking energy: -81.651
Base-Backbone interact. energy: -1.050
local terms energy: -97.444302
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -24.566
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: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -237.953313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.953313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.953313 (E_RNA)
where:
Base-Base interactions energy: -151.098
where: short stacking energy: -78.210
Base-Backbone interact. energy: -0.026
local terms energy: -86.829239
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -243.090578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.090578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.090578 (E_RNA)
where:
Base-Base interactions energy: -145.215
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.166
local terms energy: -97.709203
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -20.600
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: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -231.911344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.911344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.911344 (E_RNA)
where:
Base-Base interactions energy: -137.239
where: short stacking energy: -68.064
Base-Backbone interact. energy: 0.371
local terms energy: -95.043487
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -17.169
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: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -203.580466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.580466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.580466 (E_RNA)
where:
Base-Base interactions energy: -113.075
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.297
local terms energy: -90.208822
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -13.055
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: 10, replica: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -192.973851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.973851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.973851 (E_RNA)
where:
Base-Base interactions energy: -127.687
where: short stacking energy: -57.176
Base-Backbone interact. energy: -0.288
local terms energy: -64.998927
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -376.157927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.157927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.157927 (E_RNA)
where:
Base-Base interactions energy: -245.769
where: short stacking energy: -119.881
Base-Backbone interact. energy: 0.375
local terms energy: -130.764591
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -26.764
flat angles P-C4'-P energy: -19.537
tors. eta vs tors. theta energy: -34.192
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: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -306.038774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.038774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.038774 (E_RNA)
where:
Base-Base interactions energy: -196.468
where: short stacking energy: -80.438
Base-Backbone interact. energy: -0.127
local terms energy: -109.443922
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -21.412
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: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -298.116441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.116441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.116441 (E_RNA)
where:
Base-Base interactions energy: -186.869
where: short stacking energy: -92.877
Base-Backbone interact. energy: -0.007
local terms energy: -111.240065
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -28.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -283.520038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.520038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.520038 (E_RNA)
where:
Base-Base interactions energy: -187.441
where: short stacking energy: -94.954
Base-Backbone interact. energy: -0.171
local terms energy: -95.907888
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -23.289
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: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -247.763186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.763186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.763186 (E_RNA)
where:
Base-Base interactions energy: -147.507
where: short stacking energy: -77.084
Base-Backbone interact. energy: -0.076
local terms energy: -100.179437
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -17.501
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: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -267.216804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.216804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.216804 (E_RNA)
where:
Base-Base interactions energy: -177.157
where: short stacking energy: -74.361
Base-Backbone interact. energy: -0.182
local terms energy: -89.877981
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -13.528
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: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -228.911261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.911261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.911261 (E_RNA)
where:
Base-Base interactions energy: -142.775
where: short stacking energy: -71.616
Base-Backbone interact. energy: -0.208
local terms energy: -85.928489
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -221.067428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.067428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.067428 (E_RNA)
where:
Base-Base interactions energy: -127.415
where: short stacking energy: -55.867
Base-Backbone interact. energy: 1.282
local terms energy: -94.934039
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -203.995054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.995054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.995054 (E_RNA)
where:
Base-Base interactions energy: -125.362
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.347
local terms energy: -78.285589
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -8.667
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: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -179.446624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.446624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.446624 (E_RNA)
where:
Base-Base interactions energy: -106.075
where: short stacking energy: -50.585
Base-Backbone interact. energy: 0.109
local terms energy: -73.480960
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -4.958
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: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -365.171576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.171576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.171576 (E_RNA)
where:
Base-Base interactions energy: -236.698
where: short stacking energy: -107.206
Base-Backbone interact. energy: -0.193
local terms energy: -128.280894
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -35.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -320.280754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.280754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.280754 (E_RNA)
where:
Base-Base interactions energy: -199.518
where: short stacking energy: -90.409
Base-Backbone interact. energy: 0.147
local terms energy: -120.909978
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -26.990
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -27.681
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: 281
Temperature: 1.000000
Total energy: -320.032882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.032882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.032882 (E_RNA)
where:
Base-Base interactions energy: -209.959
where: short stacking energy: -102.395
Base-Backbone interact. energy: -0.223
local terms energy: -109.850418
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -30.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -298.002358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.002358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.002358 (E_RNA)
where:
Base-Base interactions energy: -191.282
where: short stacking energy: -89.111
Base-Backbone interact. energy: -0.121
local terms energy: -106.599921
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -25.070
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -254.914388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.914388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.914388 (E_RNA)
where:
Base-Base interactions energy: -150.004
where: short stacking energy: -72.682
Base-Backbone interact. energy: -0.401
local terms energy: -104.509813
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -18.029
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: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -246.341953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.341953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.341953 (E_RNA)
where:
Base-Base interactions energy: -148.144
where: short stacking energy: -71.396
Base-Backbone interact. energy: -0.298
local terms energy: -97.899561
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -229.186873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.186873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.186873 (E_RNA)
where:
Base-Base interactions energy: -143.445
where: short stacking energy: -69.351
Base-Backbone interact. energy: -0.675
local terms energy: -85.066946
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -13.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -213.986651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.986651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.986651 (E_RNA)
where:
Base-Base interactions energy: -127.135
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.526
local terms energy: -86.325771
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -12.054
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: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -213.099271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.099271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.099271 (E_RNA)
where:
Base-Base interactions energy: -133.184
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.311
local terms energy: -79.604059
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -13.073
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: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -213.541787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.541787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.541787 (E_RNA)
where:
Base-Base interactions energy: -126.550
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.642
local terms energy: -86.350291
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -15.861
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: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -364.915666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.915666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.915666 (E_RNA)
where:
Base-Base interactions energy: -247.905
where: short stacking energy: -106.465
Base-Backbone interact. energy: -0.170
local terms energy: -116.841262
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -32.904
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: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -320.613426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.613426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.613426 (E_RNA)
where:
Base-Base interactions energy: -212.493
where: short stacking energy: -102.511
Base-Backbone interact. energy: -0.046
local terms energy: -108.074972
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -32.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -301.698762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.698762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.698762 (E_RNA)
where:
Base-Base interactions energy: -193.162
where: short stacking energy: -93.755
Base-Backbone interact. energy: -0.156
local terms energy: -108.380931
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -27.904
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: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -306.791080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.791080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.791080 (E_RNA)
where:
Base-Base interactions energy: -196.191
where: short stacking energy: -93.544
Base-Backbone interact. energy: -0.008
local terms energy: -110.591745
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -29.643
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: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -247.056752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.056752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.056752 (E_RNA)
where:
Base-Base interactions energy: -153.684
where: short stacking energy: -88.366
Base-Backbone interact. energy: -0.500
local terms energy: -92.872103
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -250.378450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.378450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.378450 (E_RNA)
where:
Base-Base interactions energy: -161.058
where: short stacking energy: -81.979
Base-Backbone interact. energy: -0.121
local terms energy: -89.199252
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -238.819592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.819592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.819592 (E_RNA)
where:
Base-Base interactions energy: -138.664
where: short stacking energy: -68.451
Base-Backbone interact. energy: 0.160
local terms energy: -100.316180
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -218.024179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.024179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.024179 (E_RNA)
where:
Base-Base interactions energy: -128.098
where: short stacking energy: -53.641
Base-Backbone interact. energy: -0.621
local terms energy: -89.305237
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -23.432
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -218.854446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.854446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.854446 (E_RNA)
where:
Base-Base interactions energy: -134.671
where: short stacking energy: -68.140
Base-Backbone interact. energy: 0.616
local terms energy: -84.798823
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -192.007333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.007333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.007333 (E_RNA)
where:
Base-Base interactions energy: -112.604
where: short stacking energy: -48.722
Base-Backbone interact. energy: -0.975
local terms energy: -78.428478
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -357.025893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.025893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.025893 (E_RNA)
where:
Base-Base interactions energy: -233.174
where: short stacking energy: -102.225
Base-Backbone interact. energy: -0.382
local terms energy: -123.470335
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -29.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -316.717053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.717053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.717053 (E_RNA)
where:
Base-Base interactions energy: -205.133
where: short stacking energy: -99.942
Base-Backbone interact. energy: -0.107
local terms energy: -111.477449
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -25.083
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -28.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -301.547695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.547695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.547695 (E_RNA)
where:
Base-Base interactions energy: -191.098
where: short stacking energy: -96.161
Base-Backbone interact. energy: -0.008
local terms energy: -110.442328
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -26.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -274.670089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.670089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.670089 (E_RNA)
where:
Base-Base interactions energy: -170.747
where: short stacking energy: -81.714
Base-Backbone interact. energy: -0.207
local terms energy: -103.716646
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -16.379
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: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -256.602721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.602721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.602721 (E_RNA)
where:
Base-Base interactions energy: -154.709
where: short stacking energy: -77.712
Base-Backbone interact. energy: -0.514
local terms energy: -101.379181
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -24.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -240.977135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.977135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.977135 (E_RNA)
where:
Base-Base interactions energy: -155.531
where: short stacking energy: -76.431
Base-Backbone interact. energy: 1.581
local terms energy: -87.027272
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -271.970851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.970851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.970851 (E_RNA)
where:
Base-Base interactions energy: -168.702
where: short stacking energy: -73.135
Base-Backbone interact. energy: -0.739
local terms energy: -102.530620
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -226.471906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.471906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.471906 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.955
local terms energy: -89.606320
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -15.981
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: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -216.065755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.065755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.065755 (E_RNA)
where:
Base-Base interactions energy: -133.301
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.115
local terms energy: -82.649842
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -200.890254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.890254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.890254 (E_RNA)
where:
Base-Base interactions energy: -127.115
where: short stacking energy: -65.224
Base-Backbone interact. energy: 0.987
local terms energy: -74.762789
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -356.143689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.143689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.143689 (E_RNA)
where:
Base-Base interactions energy: -238.179
where: short stacking energy: -98.347
Base-Backbone interact. energy: -0.170
local terms energy: -117.794672
where:
bonds (distance) C4'-P energy: -23.914
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -28.923
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: 284
Temperature: 0.950000
Total energy: -320.529221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.529221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.529221 (E_RNA)
where:
Base-Base interactions energy: -208.914
where: short stacking energy: -99.264
Base-Backbone interact. energy: -0.244
local terms energy: -111.371145
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -23.053
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -28.144
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: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -307.593202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.593202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.593202 (E_RNA)
where:
Base-Base interactions energy: -201.365
where: short stacking energy: -101.523
Base-Backbone interact. energy: -0.009
local terms energy: -106.219197
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -28.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -279.530952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.530952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.530952 (E_RNA)
where:
Base-Base interactions energy: -169.691
where: short stacking energy: -75.762
Base-Backbone interact. energy: 0.011
local terms energy: -109.850591
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -22.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -244.983393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.983393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.983393 (E_RNA)
where:
Base-Base interactions energy: -143.422
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.023
local terms energy: -101.537954
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -16.510
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: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -270.065480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.065480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.065480 (E_RNA)
where:
Base-Base interactions energy: -167.878
where: short stacking energy: -85.448
Base-Backbone interact. energy: -0.851
local terms energy: -101.336576
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -23.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -235.587051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.587051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.587051 (E_RNA)
where:
Base-Base interactions energy: -160.961
where: short stacking energy: -78.812
Base-Backbone interact. energy: -0.573
local terms energy: -74.053015
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -231.322635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.322635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.322635 (E_RNA)
where:
Base-Base interactions energy: -133.817
where: short stacking energy: -61.957
Base-Backbone interact. energy: -0.186
local terms energy: -97.318728
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -215.124465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.124465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.124465 (E_RNA)
where:
Base-Base interactions energy: -140.748
where: short stacking energy: -67.131
Base-Backbone interact. energy: -0.241
local terms energy: -74.135299
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -12.438
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: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -183.858616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.858616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.858616 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -45.504
Base-Backbone interact. energy: 0.119
local terms energy: -73.490325
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -5.437
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: 285
Temperature: 0.900000
Total energy: -359.044134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.044134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.044134 (E_RNA)
where:
Base-Base interactions energy: -235.982
where: short stacking energy: -106.795
Base-Backbone interact. energy: 1.835
local terms energy: -124.896631
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -31.086
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: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -322.926303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.926303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.926303 (E_RNA)
where:
Base-Base interactions energy: -204.215
where: short stacking energy: -99.779
Base-Backbone interact. energy: -1.061
local terms energy: -117.650156
where:
bonds (distance) C4'-P energy: -26.058
bonds (distance) P-C4' energy: -25.244
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -28.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -326.178031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.178031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.178031 (E_RNA)
where:
Base-Base interactions energy: -208.191
where: short stacking energy: -116.247
Base-Backbone interact. energy: -0.051
local terms energy: -117.935512
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -271.893773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.893773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.893773 (E_RNA)
where:
Base-Base interactions energy: -160.196
where: short stacking energy: -89.965
Base-Backbone interact. energy: 0.326
local terms energy: -112.023862
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -27.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -308.817166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.817166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.817166 (E_RNA)
where:
Base-Base interactions energy: -205.751
where: short stacking energy: -84.128
Base-Backbone interact. energy: -0.273
local terms energy: -102.793733
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -25.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -258.879197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.879197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.879197 (E_RNA)
where:
Base-Base interactions energy: -168.210
where: short stacking energy: -81.719
Base-Backbone interact. energy: -0.185
local terms energy: -90.484028
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -227.493481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.493481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.493481 (E_RNA)
where:
Base-Base interactions energy: -140.273
where: short stacking energy: -66.400
Base-Backbone interact. energy: -0.393
local terms energy: -86.828039
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -218.486474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.486474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.486474 (E_RNA)
where:
Base-Base interactions energy: -124.564
where: short stacking energy: -58.620
Base-Backbone interact. energy: -1.953
local terms energy: -91.969058
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -218.088833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.088833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.088833 (E_RNA)
where:
Base-Base interactions energy: -130.873
where: short stacking energy: -70.185
Base-Backbone interact. energy: -0.169
local terms energy: -87.046710
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -18.887
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: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -199.445983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.445983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.445983 (E_RNA)
where:
Base-Base interactions energy: -115.762
where: short stacking energy: -57.154
Base-Backbone interact. energy: -1.002
local terms energy: -82.681620
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -329.264996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.264996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.264996 (E_RNA)
where:
Base-Base interactions energy: -223.552
where: short stacking energy: -114.484
Base-Backbone interact. energy: -0.624
local terms energy: -105.088743
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -34.585
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: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -351.631746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.631746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.631746 (E_RNA)
where:
Base-Base interactions energy: -230.581
where: short stacking energy: -104.637
Base-Backbone interact. energy: -0.203
local terms energy: -120.847910
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -34.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -278.405661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.405661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.405661 (E_RNA)
where:
Base-Base interactions energy: -171.767
where: short stacking energy: -93.907
Base-Backbone interact. energy: 1.300
local terms energy: -107.938869
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -25.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -310.351162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.351162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.351162 (E_RNA)
where:
Base-Base interactions energy: -202.980
where: short stacking energy: -98.032
Base-Backbone interact. energy: -0.005
local terms energy: -107.367043
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -32.434
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: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -285.664090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.664090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.664090 (E_RNA)
where:
Base-Base interactions energy: -181.341
where: short stacking energy: -77.963
Base-Backbone interact. energy: -1.357
local terms energy: -102.966177
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -17.963
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: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -243.029833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.029833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.029833 (E_RNA)
where:
Base-Base interactions energy: -148.685
where: short stacking energy: -76.170
Base-Backbone interact. energy: -0.033
local terms energy: -94.311293
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -24.285
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: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -235.116801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.116801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.116801 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -77.262
Base-Backbone interact. energy: -0.252
local terms energy: -93.518530
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -234.368223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.368223 (E_RNA)
where:
Base-Base interactions energy: -147.632
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.219
local terms energy: -86.516888
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -214.780299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.780299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.780299 (E_RNA)
where:
Base-Base interactions energy: -124.464
where: short stacking energy: -70.155
Base-Backbone interact. energy: 0.878
local terms energy: -91.194971
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -210.002170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.002170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.002170 (E_RNA)
where:
Base-Base interactions energy: -116.127
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.310
local terms energy: -93.565192
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -339.447504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.447504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.447504 (E_RNA)
where:
Base-Base interactions energy: -211.993
where: short stacking energy: -103.323
Base-Backbone interact. energy: -0.466
local terms energy: -126.989209
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -33.282
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: 287
Temperature: 0.950000
Total energy: -347.539212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.539212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.539212 (E_RNA)
where:
Base-Base interactions energy: -234.081
where: short stacking energy: -107.737
Base-Backbone interact. energy: -0.083
local terms energy: -113.374669
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -25.984
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -26.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -294.754424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.754424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.754424 (E_RNA)
where:
Base-Base interactions energy: -191.958
where: short stacking energy: -78.533
Base-Backbone interact. energy: -0.194
local terms energy: -102.602430
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -24.911
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -292.746391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.746391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.746391 (E_RNA)
where:
Base-Base interactions energy: -195.049
where: short stacking energy: -85.035
Base-Backbone interact. energy: -0.584
local terms energy: -97.113222
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -307.642988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.642988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.642988 (E_RNA)
where:
Base-Base interactions energy: -199.460
where: short stacking energy: -93.625
Base-Backbone interact. energy: -0.344
local terms energy: -107.839755
where:
bonds (distance) C4'-P energy: -23.361
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -244.058622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.058622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.058622 (E_RNA)
where:
Base-Base interactions energy: -140.519
where: short stacking energy: -68.225
Base-Backbone interact. energy: -0.079
local terms energy: -103.460946
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -274.422360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.422360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.422360 (E_RNA)
where:
Base-Base interactions energy: -181.889
where: short stacking energy: -92.021
Base-Backbone interact. energy: -0.224
local terms energy: -92.309342
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -16.772
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: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -228.256962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.256962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.256962 (E_RNA)
where:
Base-Base interactions energy: -143.923
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.087
local terms energy: -84.247768
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -13.075
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: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -214.905211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.905211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.905211 (E_RNA)
where:
Base-Base interactions energy: -131.017
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.227
local terms energy: -83.661391
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -214.997233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.997233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.997233 (E_RNA)
where:
Base-Base interactions energy: -131.325
where: short stacking energy: -69.000
Base-Backbone interact. energy: -0.315
local terms energy: -83.357209
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -14.633
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: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -358.440281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.440281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.440281 (E_RNA)
where:
Base-Base interactions energy: -237.898
where: short stacking energy: -111.954
Base-Backbone interact. energy: -0.092
local terms energy: -120.450289
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -32.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -326.113923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.113923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.113923 (E_RNA)
where:
Base-Base interactions energy: -208.714
where: short stacking energy: -94.997
Base-Backbone interact. energy: -0.311
local terms energy: -117.088747
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -26.363
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -285.800013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.800013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.800013 (E_RNA)
where:
Base-Base interactions energy: -170.038
where: short stacking energy: -88.103
Base-Backbone interact. energy: 0.387
local terms energy: -116.148762
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -28.189
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -23.234
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: 288
Temperature: 1.050000
Total energy: -297.176382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.176382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.176382 (E_RNA)
where:
Base-Base interactions energy: -191.743
where: short stacking energy: -87.558
Base-Backbone interact. energy: -0.656
local terms energy: -104.778088
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -24.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -285.590319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.590319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.590319 (E_RNA)
where:
Base-Base interactions energy: -180.427
where: short stacking energy: -87.704
Base-Backbone interact. energy: -0.129
local terms energy: -105.034511
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -27.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -233.030223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.030223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.030223 (E_RNA)
where:
Base-Base interactions energy: -141.170
where: short stacking energy: -78.143
Base-Backbone interact. energy: 0.151
local terms energy: -92.011257
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -271.880570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.880570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.880570 (E_RNA)
where:
Base-Base interactions energy: -185.431
where: short stacking energy: -91.536
Base-Backbone interact. energy: -0.053
local terms energy: -86.396355
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -230.207863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.207863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.207863 (E_RNA)
where:
Base-Base interactions energy: -137.538
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.141
local terms energy: -92.529142
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -204.774852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.774852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.774852 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.071
local terms energy: -73.261786
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -205.775936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.775936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.775936 (E_RNA)
where:
Base-Base interactions energy: -135.230
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.183
local terms energy: -70.363245
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -355.974757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.974757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.974757 (E_RNA)
where:
Base-Base interactions energy: -242.125
where: short stacking energy: -101.956
Base-Backbone interact. energy: -0.223
local terms energy: -113.627196
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -29.880
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: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -326.078857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.078857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.078857 (E_RNA)
where:
Base-Base interactions energy: -211.382
where: short stacking energy: -99.882
Base-Backbone interact. energy: -0.142
local terms energy: -114.555166
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -26.575
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: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -279.527270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.527270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.527270 (E_RNA)
where:
Base-Base interactions energy: -175.411
where: short stacking energy: -80.725
Base-Backbone interact. energy: -0.160
local terms energy: -103.955927
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -15.551
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: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -300.055781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.055781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.055781 (E_RNA)
where:
Base-Base interactions energy: -195.081
where: short stacking energy: -83.230
Base-Backbone interact. energy: -0.219
local terms energy: -104.756219
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -22.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -291.850779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.850779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.850779 (E_RNA)
where:
Base-Base interactions energy: -183.158
where: short stacking energy: -92.907
Base-Backbone interact. energy: -0.112
local terms energy: -108.580681
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -27.809
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: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -249.239913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.239913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.239913 (E_RNA)
where:
Base-Base interactions energy: -158.704
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.137
local terms energy: -90.399596
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -232.932317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.932317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.932317 (E_RNA)
where:
Base-Base interactions energy: -147.591
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.182
local terms energy: -85.159247
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -230.158197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.158197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.158197 (E_RNA)
where:
Base-Base interactions energy: -135.028
where: short stacking energy: -68.692
Base-Backbone interact. energy: -0.457
local terms energy: -94.672793
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -152.401034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.401034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.401034 (E_RNA)
where:
Base-Base interactions energy: -80.813
where: short stacking energy: -41.995
Base-Backbone interact. energy: -0.754
local terms energy: -70.834763
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -176.565652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.565652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.565652 (E_RNA)
where:
Base-Base interactions energy: -115.075
where: short stacking energy: -43.706
Base-Backbone interact. energy: -1.236
local terms energy: -60.254732
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -9.405
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: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -359.400880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.400880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.400880 (E_RNA)
where:
Base-Base interactions energy: -232.779
where: short stacking energy: -102.958
Base-Backbone interact. energy: -0.761
local terms energy: -125.860250
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -32.451
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: 290
Temperature: 0.950000
Total energy: -325.346643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.346643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.346643 (E_RNA)
where:
Base-Base interactions energy: -206.321
where: short stacking energy: -105.218
Base-Backbone interact. energy: 0.086
local terms energy: -119.111786
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -325.207734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.207734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.207734 (E_RNA)
where:
Base-Base interactions energy: -218.413
where: short stacking energy: -97.994
Base-Backbone interact. energy: -0.315
local terms energy: -106.480072
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -269.845476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.845476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.845476 (E_RNA)
where:
Base-Base interactions energy: -173.041
where: short stacking energy: -76.597
Base-Backbone interact. energy: -0.313
local terms energy: -96.491725
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -292.436450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.436450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.436450 (E_RNA)
where:
Base-Base interactions energy: -178.717
where: short stacking energy: -94.112
Base-Backbone interact. energy: 1.404
local terms energy: -115.124255
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -23.499
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -29.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -281.915404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.915404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.915404 (E_RNA)
where:
Base-Base interactions energy: -178.941
where: short stacking energy: -79.096
Base-Backbone interact. energy: -0.070
local terms energy: -102.904052
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -26.318
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: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -243.061092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.061092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.061092 (E_RNA)
where:
Base-Base interactions energy: -153.675
where: short stacking energy: -66.065
Base-Backbone interact. energy: -0.186
local terms energy: -89.199261
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -220.380629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.380629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.380629 (E_RNA)
where:
Base-Base interactions energy: -133.926
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.309
local terms energy: -86.145622
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -17.898
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: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -145.985050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.985050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.985050 (E_RNA)
where:
Base-Base interactions energy: -77.949
where: short stacking energy: -38.551
Base-Backbone interact. energy: -0.300
local terms energy: -67.736064
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: 0.541
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: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -120.078910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.078910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.078910 (E_RNA)
where:
Base-Base interactions energy: -48.427
where: short stacking energy: -41.572
Base-Backbone interact. energy: -0.488
local terms energy: -71.163103
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -357.995234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.995234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.995234 (E_RNA)
where:
Base-Base interactions energy: -238.102
where: short stacking energy: -109.539
Base-Backbone interact. energy: -0.225
local terms energy: -119.667571
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -31.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -321.031217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.031217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.031217 (E_RNA)
where:
Base-Base interactions energy: -208.552
where: short stacking energy: -102.165
Base-Backbone interact. energy: -0.099
local terms energy: -112.379299
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -309.836015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.836015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.836015 (E_RNA)
where:
Base-Base interactions energy: -208.907
where: short stacking energy: -103.404
Base-Backbone interact. energy: -0.094
local terms energy: -100.835297
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -314.847129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.847129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.847129 (E_RNA)
where:
Base-Base interactions energy: -197.924
where: short stacking energy: -94.982
Base-Backbone interact. energy: -0.371
local terms energy: -116.551537
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -257.809689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.809689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.809689 (E_RNA)
where:
Base-Base interactions energy: -146.052
where: short stacking energy: -76.858
Base-Backbone interact. energy: -0.017
local terms energy: -111.740814
where:
bonds (distance) C4'-P energy: -27.632
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -17.716
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: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -253.299412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.299412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.299412 (E_RNA)
where:
Base-Base interactions energy: -157.529
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.311
local terms energy: -95.459752
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -283.625560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.625560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.625560 (E_RNA)
where:
Base-Base interactions energy: -179.687
where: short stacking energy: -81.947
Base-Backbone interact. energy: -0.298
local terms energy: -103.640417
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -23.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -215.166295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.166295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.166295 (E_RNA)
where:
Base-Base interactions energy: -136.169
where: short stacking energy: -67.164
Base-Backbone interact. energy: -0.082
local terms energy: -78.915841
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -14.869
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: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -108.804621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.804621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.804621 (E_RNA)
where:
Base-Base interactions energy: -46.882
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.596
local terms energy: -61.327089
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -0.486
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: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -98.045995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.045995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.045995 (E_RNA)
where:
Base-Base interactions energy: -38.638
where: short stacking energy: -36.596
Base-Backbone interact. energy: 2.902
local terms energy: -62.310186
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -366.530376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.530376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.530376 (E_RNA)
where:
Base-Base interactions energy: -248.387
where: short stacking energy: -113.462
Base-Backbone interact. energy: -0.171
local terms energy: -117.972476
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -25.752
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -35.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -317.194767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.194767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.194767 (E_RNA)
where:
Base-Base interactions energy: -206.164
where: short stacking energy: -88.674
Base-Backbone interact. energy: -0.067
local terms energy: -110.963173
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -309.189698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.189698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.189698 (E_RNA)
where:
Base-Base interactions energy: -202.581
where: short stacking energy: -91.665
Base-Backbone interact. energy: -0.311
local terms energy: -106.297065
where:
bonds (distance) C4'-P energy: -24.324
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -22.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -301.402504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.402504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.402504 (E_RNA)
where:
Base-Base interactions energy: -198.868
where: short stacking energy: -98.226
Base-Backbone interact. energy: -0.009
local terms energy: -102.525728
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -26.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -276.357786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.357786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.357786 (E_RNA)
where:
Base-Base interactions energy: -173.548
where: short stacking energy: -91.299
Base-Backbone interact. energy: -0.007
local terms energy: -102.803381
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -27.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -263.860371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.860371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.860371 (E_RNA)
where:
Base-Base interactions energy: -159.542
where: short stacking energy: -77.741
Base-Backbone interact. energy: -0.088
local terms energy: -104.230254
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -13.334
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: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -239.868760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.868760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.868760 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -80.572
Base-Backbone interact. energy: -0.057
local terms energy: -97.826238
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -24.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -214.903070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.903070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.903070 (E_RNA)
where:
Base-Base interactions energy: -128.115
where: short stacking energy: -62.893
Base-Backbone interact. energy: 1.123
local terms energy: -87.911394
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -26.004
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -16.520
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: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -131.122776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.122776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.122776 (E_RNA)
where:
Base-Base interactions energy: -50.849
where: short stacking energy: -30.911
Base-Backbone interact. energy: -1.411
local terms energy: -78.862963
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -117.921270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.921270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.921270 (E_RNA)
where:
Base-Base interactions energy: -51.095
where: short stacking energy: -49.571
Base-Backbone interact. energy: -0.189
local terms energy: -66.637240
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -360.292961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.292961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.292961 (E_RNA)
where:
Base-Base interactions energy: -234.984
where: short stacking energy: -112.200
Base-Backbone interact. energy: -0.757
local terms energy: -124.551645
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -24.279
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -35.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -333.855743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.855743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.855743 (E_RNA)
where:
Base-Base interactions energy: -225.292
where: short stacking energy: -98.377
Base-Backbone interact. energy: -0.539
local terms energy: -108.024807
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -22.909
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -31.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -296.048475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.048475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.048475 (E_RNA)
where:
Base-Base interactions energy: -191.427
where: short stacking energy: -85.302
Base-Backbone interact. energy: 2.610
local terms energy: -107.231658
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -20.013
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: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -275.926748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.926748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.926748 (E_RNA)
where:
Base-Base interactions energy: -165.683
where: short stacking energy: -91.375
Base-Backbone interact. energy: 2.302
local terms energy: -112.545579
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -24.436
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -25.415
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: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -279.481464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.481464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.481464 (E_RNA)
where:
Base-Base interactions energy: -180.346
where: short stacking energy: -94.288
Base-Backbone interact. energy: 0.040
local terms energy: -99.175174
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -255.987239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.987239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.987239 (E_RNA)
where:
Base-Base interactions energy: -153.726
where: short stacking energy: -73.526
Base-Backbone interact. energy: -1.035
local terms energy: -101.225741
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -24.820
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -254.879944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.879944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.879944 (E_RNA)
where:
Base-Base interactions energy: -155.002
where: short stacking energy: -67.794
Base-Backbone interact. energy: -0.005
local terms energy: -99.873169
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -18.478
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: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -219.207330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.207330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.207330 (E_RNA)
where:
Base-Base interactions energy: -128.199
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.398
local terms energy: -90.609705
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -4.669
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: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -143.888243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.888243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.888243 (E_RNA)
where:
Base-Base interactions energy: -65.182
where: short stacking energy: -44.858
Base-Backbone interact. energy: -0.773
local terms energy: -77.933395
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -109.392769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.392769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.392769 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -35.013
Base-Backbone interact. energy: -1.213
local terms energy: -72.751483
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -3.961
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: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -351.427664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.427664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.427664 (E_RNA)
where:
Base-Base interactions energy: -228.910
where: short stacking energy: -103.793
Base-Backbone interact. energy: -0.649
local terms energy: -121.867968
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -24.696
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -31.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -332.816435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.816435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.816435 (E_RNA)
where:
Base-Base interactions energy: -220.385
where: short stacking energy: -100.550
Base-Backbone interact. energy: -1.380
local terms energy: -111.051492
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -29.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -276.104698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.104698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.104698 (E_RNA)
where:
Base-Base interactions energy: -170.147
where: short stacking energy: -82.530
Base-Backbone interact. energy: -0.110
local terms energy: -105.847891
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -287.962031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.962031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.962031 (E_RNA)
where:
Base-Base interactions energy: -185.583
where: short stacking energy: -91.003
Base-Backbone interact. energy: -0.087
local terms energy: -102.292321
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -24.993
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: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -288.696777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.696777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.696777 (E_RNA)
where:
Base-Base interactions energy: -190.428
where: short stacking energy: -79.093
Base-Backbone interact. energy: -0.419
local terms energy: -97.849339
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -15.560
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: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -245.578297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.578297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.578297 (E_RNA)
where:
Base-Base interactions energy: -163.854
where: short stacking energy: -70.779
Base-Backbone interact. energy: -0.112
local terms energy: -81.612297
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -12.774
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: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -250.258574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.258574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.258574 (E_RNA)
where:
Base-Base interactions energy: -151.820
where: short stacking energy: -84.046
Base-Backbone interact. energy: -0.107
local terms energy: -98.332135
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -23.004
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: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -271.983239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.983239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.983239 (E_RNA)
where:
Base-Base interactions energy: -173.739
where: short stacking energy: -92.276
Base-Backbone interact. energy: -0.083
local terms energy: -98.161275
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -27.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -116.963783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.963783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.963783 (E_RNA)
where:
Base-Base interactions energy: -44.127
where: short stacking energy: -44.327
Base-Backbone interact. energy: -0.430
local terms energy: -72.407014
where:
bonds (distance) C4'-P energy: -24.354
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: 1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -137.155200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.155200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.155200 (E_RNA)
where:
Base-Base interactions energy: -61.163
where: short stacking energy: -30.590
Base-Backbone interact. energy: -0.650
local terms energy: -75.342862
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -2.975
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: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -352.934739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.934739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.934739 (E_RNA)
where:
Base-Base interactions energy: -233.190
where: short stacking energy: -113.444
Base-Backbone interact. energy: -0.547
local terms energy: -119.198268
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -31.624
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: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -330.137756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.137756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.137756 (E_RNA)
where:
Base-Base interactions energy: -217.321
where: short stacking energy: -91.168
Base-Backbone interact. energy: -0.070
local terms energy: -112.746850
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -285.571536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.571536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.571536 (E_RNA)
where:
Base-Base interactions energy: -183.412
where: short stacking energy: -90.528
Base-Backbone interact. energy: 1.391
local terms energy: -103.550095
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -28.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -298.934860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.934860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.934860 (E_RNA)
where:
Base-Base interactions energy: -198.555
where: short stacking energy: -95.302
Base-Backbone interact. energy: -0.002
local terms energy: -100.378256
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -30.230
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: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -296.078240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.078240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.078240 (E_RNA)
where:
Base-Base interactions energy: -183.666
where: short stacking energy: -95.691
Base-Backbone interact. energy: -0.194
local terms energy: -112.218786
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -251.463166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.463166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.463166 (E_RNA)
where:
Base-Base interactions energy: -157.914
where: short stacking energy: -66.318
Base-Backbone interact. energy: -0.073
local terms energy: -93.476376
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -15.368
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -249.148816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.148816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.148816 (E_RNA)
where:
Base-Base interactions energy: -156.625
where: short stacking energy: -79.557
Base-Backbone interact. energy: -0.180
local terms energy: -92.344662
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -11.651
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: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -242.064401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.064401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.064401 (E_RNA)
where:
Base-Base interactions energy: -145.839
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.118
local terms energy: -96.107292
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -12.795
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: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -121.500311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.500311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.500311 (E_RNA)
where:
Base-Base interactions energy: -39.010
where: short stacking energy: -39.010
Base-Backbone interact. energy: 0.888
local terms energy: -83.377964
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -2.348
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: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -116.310251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.310251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.310251 (E_RNA)
where:
Base-Base interactions energy: -40.078
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.784
local terms energy: -75.447899
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: 2.854
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: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -365.393247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.393247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.393247 (E_RNA)
where:
Base-Base interactions energy: -235.198
where: short stacking energy: -101.390
Base-Backbone interact. energy: 0.231
local terms energy: -130.425688
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -35.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -319.794737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.794737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.794737 (E_RNA)
where:
Base-Base interactions energy: -211.629
where: short stacking energy: -96.187
Base-Backbone interact. energy: -0.349
local terms energy: -107.816496
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -26.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -331.229477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.229477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.229477 (E_RNA)
where:
Base-Base interactions energy: -206.081
where: short stacking energy: -107.688
Base-Backbone interact. energy: -0.406
local terms energy: -124.743252
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -38.765
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: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -262.628790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.628790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.628790 (E_RNA)
where:
Base-Base interactions energy: -153.656
where: short stacking energy: -72.169
Base-Backbone interact. energy: -0.094
local terms energy: -108.879128
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -289.287428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.287428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.287428 (E_RNA)
where:
Base-Base interactions energy: -165.922
where: short stacking energy: -77.249
Base-Backbone interact. energy: -0.103
local terms energy: -123.262540
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -33.419
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: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -254.412791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.412791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.412791 (E_RNA)
where:
Base-Base interactions energy: -150.359
where: short stacking energy: -79.474
Base-Backbone interact. energy: 0.010
local terms energy: -104.064538
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -228.105082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.105082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.105082 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -64.055
Base-Backbone interact. energy: 0.076
local terms energy: -90.115819
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -246.272299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.272299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.272299 (E_RNA)
where:
Base-Base interactions energy: -154.803
where: short stacking energy: -79.705
Base-Backbone interact. energy: 0.065
local terms energy: -91.533936
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -16.918
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: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -126.342296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.342296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.342296 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -32.844
Base-Backbone interact. energy: 2.481
local terms energy: -84.628631
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -1.772
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: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -114.090197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.090197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.090197 (E_RNA)
where:
Base-Base interactions energy: -34.854
where: short stacking energy: -34.854
Base-Backbone interact. energy: -0.273
local terms energy: -78.963127
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -372.360897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.360897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.360897 (E_RNA)
where:
Base-Base interactions energy: -248.108
where: short stacking energy: -112.963
Base-Backbone interact. energy: -0.216
local terms energy: -124.036618
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -26.885
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -31.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -327.799931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.799931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.799931 (E_RNA)
where:
Base-Base interactions energy: -210.104
where: short stacking energy: -99.573
Base-Backbone interact. energy: -0.163
local terms energy: -117.533101
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -26.208
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -28.956
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: 297
Temperature: 1.000000
Total energy: -303.664702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.664702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.664702 (E_RNA)
where:
Base-Base interactions energy: -202.643
where: short stacking energy: -103.025
Base-Backbone interact. energy: -0.111
local terms energy: -100.910525
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -27.280
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: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -303.434186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.434186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.434186 (E_RNA)
where:
Base-Base interactions energy: -193.447
where: short stacking energy: -97.022
Base-Backbone interact. energy: -0.021
local terms energy: -109.965777
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -29.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -253.964366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.964366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.964366 (E_RNA)
where:
Base-Base interactions energy: -146.643
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.106
local terms energy: -107.214931
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -249.150920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.150920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.150920 (E_RNA)
where:
Base-Base interactions energy: -151.697
where: short stacking energy: -71.238
Base-Backbone interact. energy: -0.977
local terms energy: -96.476764
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -12.644
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: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -226.311466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.311466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.311466 (E_RNA)
where:
Base-Base interactions energy: -133.378
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.079
local terms energy: -92.854189
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -226.267687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.267687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.267687 (E_RNA)
where:
Base-Base interactions energy: -127.395
where: short stacking energy: -57.497
Base-Backbone interact. energy: -0.770
local terms energy: -98.103139
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -107.789356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.789356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.789356 (E_RNA)
where:
Base-Base interactions energy: -31.706
where: short stacking energy: -30.920
Base-Backbone interact. energy: 0.050
local terms energy: -76.133063
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -11.127
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: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -109.560215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.560215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.560215 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -36.140
Base-Backbone interact. energy: -0.299
local terms energy: -69.651272
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -369.062923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.062923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.062923 (E_RNA)
where:
Base-Base interactions energy: -248.712
where: short stacking energy: -111.275
Base-Backbone interact. energy: -0.222
local terms energy: -120.128448
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -32.261
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: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -323.370761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.370761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.370761 (E_RNA)
where:
Base-Base interactions energy: -200.822
where: short stacking energy: -99.355
Base-Backbone interact. energy: -0.084
local terms energy: -122.465090
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -30.939
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: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -314.033411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.033411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.033411 (E_RNA)
where:
Base-Base interactions energy: -197.880
where: short stacking energy: -97.805
Base-Backbone interact. energy: -0.108
local terms energy: -116.045902
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -25.550
flat angles C4'-P-C4' energy: -24.626
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -29.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -289.277663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.277663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.277663 (E_RNA)
where:
Base-Base interactions energy: -185.204
where: short stacking energy: -93.022
Base-Backbone interact. energy: -0.014
local terms energy: -104.059814
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -24.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -265.747297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.747297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.747297 (E_RNA)
where:
Base-Base interactions energy: -158.302
where: short stacking energy: -80.264
Base-Backbone interact. energy: -0.642
local terms energy: -106.803403
where:
bonds (distance) C4'-P energy: -24.009
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -242.512309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.512309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.512309 (E_RNA)
where:
Base-Base interactions energy: -146.932
where: short stacking energy: -68.324
Base-Backbone interact. energy: -0.189
local terms energy: -95.391897
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -18.589
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: 298
Temperature: 1.200000
Total energy: -243.899900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.899900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.899900 (E_RNA)
where:
Base-Base interactions energy: -149.415
where: short stacking energy: -69.907
Base-Backbone interact. energy: -0.023
local terms energy: -94.461480
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -215.686848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.686848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.686848 (E_RNA)
where:
Base-Base interactions energy: -133.340
where: short stacking energy: -68.283
Base-Backbone interact. energy: -0.195
local terms energy: -82.151503
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -117.053347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.053347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.053347 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -30.491
Base-Backbone interact. energy: -0.714
local terms energy: -78.119565
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -14.860
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: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -104.364023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.364023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.364023 (E_RNA)
where:
Base-Base interactions energy: -44.460
where: short stacking energy: -44.460
Base-Backbone interact. energy: -0.326
local terms energy: -59.577399
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -2.681
tors. eta vs tors. theta energy: -4.196
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: 299
Temperature: 0.900000
Total energy: -372.937998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.937998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.937998 (E_RNA)
where:
Base-Base interactions energy: -242.937
where: short stacking energy: -111.793
Base-Backbone interact. energy: -0.421
local terms energy: -129.580082
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -25.024
flat angles C4'-P-C4' energy: -27.492
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -36.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -324.127312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.127312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.127312 (E_RNA)
where:
Base-Base interactions energy: -212.037
where: short stacking energy: -101.899
Base-Backbone interact. energy: 0.046
local terms energy: -112.136684
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -30.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -314.411000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.411000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.411000 (E_RNA)
where:
Base-Base interactions energy: -196.778
where: short stacking energy: -98.022
Base-Backbone interact. energy: -0.007
local terms energy: -117.625448
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -26.676
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: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -264.994298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.994298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.994298 (E_RNA)
where:
Base-Base interactions energy: -155.312
where: short stacking energy: -72.815
Base-Backbone interact. energy: 0.686
local terms energy: -110.368911
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -288.443975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.443975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.443975 (E_RNA)
where:
Base-Base interactions energy: -183.289
where: short stacking energy: -86.022
Base-Backbone interact. energy: -0.117
local terms energy: -105.037746
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -26.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -256.773974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.773974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.773974 (E_RNA)
where:
Base-Base interactions energy: -159.031
where: short stacking energy: -78.694
Base-Backbone interact. energy: -0.684
local terms energy: -97.058600
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -14.806
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: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -232.114839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.114839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.114839 (E_RNA)
where:
Base-Base interactions energy: -147.128
where: short stacking energy: -58.266
Base-Backbone interact. energy: -0.840
local terms energy: -84.146590
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -14.319
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -222.678160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.678160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.678160 (E_RNA)
where:
Base-Base interactions energy: -123.813
where: short stacking energy: -56.937
Base-Backbone interact. energy: -0.094
local terms energy: -98.770857
where:
bonds (distance) C4'-P energy: -24.969
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -117.079804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.079804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.079804 (E_RNA)
where:
Base-Base interactions energy: -37.386
where: short stacking energy: -29.956
Base-Backbone interact. energy: -0.203
local terms energy: -79.490975
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -119.923824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.923824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.923824 (E_RNA)
where:
Base-Base interactions energy: -47.391
where: short stacking energy: -42.926
Base-Backbone interact. energy: -0.391
local terms energy: -72.140924
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -373.552417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.552417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.552417 (E_RNA)
where:
Base-Base interactions energy: -248.458
where: short stacking energy: -110.527
Base-Backbone interact. energy: -0.125
local terms energy: -124.969365
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -36.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -309.252172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.252172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.252172 (E_RNA)
where:
Base-Base interactions energy: -210.974
where: short stacking energy: -96.574
Base-Backbone interact. energy: -0.224
local terms energy: -98.054831
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -30.336
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: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -324.126150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.126150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.126150 (E_RNA)
where:
Base-Base interactions energy: -200.846
where: short stacking energy: -96.589
Base-Backbone interact. energy: -1.706
local terms energy: -121.574519
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -30.606
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: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -257.064504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.064504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.064504 (E_RNA)
where:
Base-Base interactions energy: -152.982
where: short stacking energy: -83.010
Base-Backbone interact. energy: -0.622
local terms energy: -103.460382
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -294.136480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.136480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.136480 (E_RNA)
where:
Base-Base interactions energy: -187.853
where: short stacking energy: -86.000
Base-Backbone interact. energy: -0.099
local terms energy: -106.184828
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -24.275
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: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -247.011269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.011269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.011269 (E_RNA)
where:
Base-Base interactions energy: -152.716
where: short stacking energy: -74.021
Base-Backbone interact. energy: -0.260
local terms energy: -94.035883
where:
bonds (distance) C4'-P energy: -24.304
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -222.517914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.517914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.517914 (E_RNA)
where:
Base-Base interactions energy: -144.240
where: short stacking energy: -66.638
Base-Backbone interact. energy: -0.901
local terms energy: -77.376920
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -229.477424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.477424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.477424 (E_RNA)
where:
Base-Base interactions energy: -142.165
where: short stacking energy: -70.538
Base-Backbone interact. energy: -0.199
local terms energy: -87.113478
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -118.439418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.439418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.439418 (E_RNA)
where:
Base-Base interactions energy: -51.480
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.200
local terms energy: -66.759727
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -10.241
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: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -104.334651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.334651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.334651 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.184
local terms energy: -70.242066
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -1.413
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: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -371.319808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.319808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.319808 (E_RNA)
where:
Base-Base interactions energy: -248.991
where: short stacking energy: -109.978
Base-Backbone interact. energy: -0.285
local terms energy: -122.043918
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -36.424
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: 301
Temperature: 0.950000
Total energy: -309.916721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.916721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.916721 (E_RNA)
where:
Base-Base interactions energy: -199.854
where: short stacking energy: -96.505
Base-Backbone interact. energy: -0.051
local terms energy: -110.011876
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -24.699
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -30.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -294.199198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.199198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.199198 (E_RNA)
where:
Base-Base interactions energy: -187.360
where: short stacking energy: -86.074
Base-Backbone interact. energy: 0.567
local terms energy: -107.406043
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -25.177
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -295.407834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.407834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.407834 (E_RNA)
where:
Base-Base interactions energy: -188.630
where: short stacking energy: -93.145
Base-Backbone interact. energy: -0.656
local terms energy: -106.121536
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -28.554
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -247.369575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.369575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.369575 (E_RNA)
where:
Base-Base interactions energy: -143.300
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.108
local terms energy: -103.961218
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -254.538034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.538034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.538034 (E_RNA)
where:
Base-Base interactions energy: -152.541
where: short stacking energy: -79.829
Base-Backbone interact. energy: -0.508
local terms energy: -101.489597
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -25.054
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -21.187
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: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -242.287540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.287540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.287540 (E_RNA)
where:
Base-Base interactions energy: -141.467
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.174
local terms energy: -100.646628
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -22.881
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: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -230.930066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.930066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.930066 (E_RNA)
where:
Base-Base interactions energy: -139.793
where: short stacking energy: -66.067
Base-Backbone interact. energy: -0.790
local terms energy: -90.347300
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -110.847226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.847226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.847226 (E_RNA)
where:
Base-Base interactions energy: -43.905
where: short stacking energy: -38.908
Base-Backbone interact. energy: -0.015
local terms energy: -66.927260
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -6.976
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: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -112.259898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.259898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.259898 (E_RNA)
where:
Base-Base interactions energy: -41.153
where: short stacking energy: -21.016
Base-Backbone interact. energy: -0.482
local terms energy: -70.625180
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: 3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -326.425456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.425456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.425456 (E_RNA)
where:
Base-Base interactions energy: -206.281
where: short stacking energy: -101.915
Base-Backbone interact. energy: -0.015
local terms energy: -120.129430
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -30.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -365.303985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.303985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.303985 (E_RNA)
where:
Base-Base interactions energy: -239.826
where: short stacking energy: -116.466
Base-Backbone interact. energy: -0.079
local terms energy: -125.398704
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -24.516
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -329.836594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.836594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.836594 (E_RNA)
where:
Base-Base interactions energy: -220.546
where: short stacking energy: -95.176
Base-Backbone interact. energy: 1.608
local terms energy: -110.898366
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -26.619
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -26.196
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: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -282.368827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.368827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.368827 (E_RNA)
where:
Base-Base interactions energy: -174.488
where: short stacking energy: -79.641
Base-Backbone interact. energy: -0.081
local terms energy: -107.799780
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -27.855
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -24.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -248.740011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.740011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.740011 (E_RNA)
where:
Base-Base interactions energy: -149.015
where: short stacking energy: -76.914
Base-Backbone interact. energy: 0.696
local terms energy: -100.420165
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -18.858
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: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -219.025384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.025384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.025384 (E_RNA)
where:
Base-Base interactions energy: -135.386
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.771
local terms energy: -82.868718
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -10.107
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: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -221.178956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.178956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.178956 (E_RNA)
where:
Base-Base interactions energy: -133.155
where: short stacking energy: -68.643
Base-Backbone interact. energy: 1.158
local terms energy: -89.182430
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -22.306
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: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -216.202648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.202648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.202648 (E_RNA)
where:
Base-Base interactions energy: -128.359
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.612
local terms energy: -87.232158
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -11.953
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: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -136.614084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.614084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.614084 (E_RNA)
where:
Base-Base interactions energy: -48.923
where: short stacking energy: -48.853
Base-Backbone interact. energy: -0.178
local terms energy: -87.512978
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -9.754
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: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -129.532118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.532118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.532118 (E_RNA)
where:
Base-Base interactions energy: -67.567
where: short stacking energy: -35.730
Base-Backbone interact. energy: -1.463
local terms energy: -60.502931
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: 2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -329.795140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.795140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.795140 (E_RNA)
where:
Base-Base interactions energy: -210.455
where: short stacking energy: -101.029
Base-Backbone interact. energy: -0.003
local terms energy: -119.337275
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -28.466
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: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -335.446240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.446240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.446240 (E_RNA)
where:
Base-Base interactions energy: -229.633
where: short stacking energy: -108.943
Base-Backbone interact. energy: -0.122
local terms energy: -105.691741
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -24.252
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: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -340.529171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.529171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.529171 (E_RNA)
where:
Base-Base interactions energy: -230.264
where: short stacking energy: -109.505
Base-Backbone interact. energy: -1.081
local terms energy: -109.184523
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -30.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -297.396500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.396500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.396500 (E_RNA)
where:
Base-Base interactions energy: -195.426
where: short stacking energy: -89.582
Base-Backbone interact. energy: -0.048
local terms energy: -101.922462
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -24.949
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: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -254.568564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.568564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.568564 (E_RNA)
where:
Base-Base interactions energy: -154.348
where: short stacking energy: -77.603
Base-Backbone interact. energy: -0.209
local terms energy: -100.011611
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -235.988244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.988244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.988244 (E_RNA)
where:
Base-Base interactions energy: -148.271
where: short stacking energy: -66.059
Base-Backbone interact. energy: -0.381
local terms energy: -87.336048
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -7.911
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: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -201.547803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.547803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.547803 (E_RNA)
where:
Base-Base interactions energy: -118.742
where: short stacking energy: -50.135
Base-Backbone interact. energy: -0.934
local terms energy: -81.872231
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -13.783
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: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -228.218212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.218212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.218212 (E_RNA)
where:
Base-Base interactions energy: -136.076
where: short stacking energy: -65.141
Base-Backbone interact. energy: -0.194
local terms energy: -91.948224
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -119.439605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.439605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.439605 (E_RNA)
where:
Base-Base interactions energy: -32.633
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.231
local terms energy: -86.576383
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -3.209
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: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -120.951194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.951194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.951194 (E_RNA)
where:
Base-Base interactions energy: -55.565
where: short stacking energy: -41.656
Base-Backbone interact. energy: -0.195
local terms energy: -65.192094
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -6.277
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: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -330.444875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.444875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.444875 (E_RNA)
where:
Base-Base interactions energy: -206.069
where: short stacking energy: -103.766
Base-Backbone interact. energy: -0.004
local terms energy: -124.371943
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -32.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -328.502325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.502325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.502325 (E_RNA)
where:
Base-Base interactions energy: -212.605
where: short stacking energy: -99.572
Base-Backbone interact. energy: -0.191
local terms energy: -115.705913
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -25.725
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: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -338.009184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.009184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.009184 (E_RNA)
where:
Base-Base interactions energy: -230.354
where: short stacking energy: -100.059
Base-Backbone interact. energy: 0.993
local terms energy: -108.648142
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -32.574
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: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -305.795746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.795746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.795746 (E_RNA)
where:
Base-Base interactions energy: -197.526
where: short stacking energy: -93.866
Base-Backbone interact. energy: -0.394
local terms energy: -107.875713
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -23.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -257.361920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.361920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.361920 (E_RNA)
where:
Base-Base interactions energy: -149.111
where: short stacking energy: -86.534
Base-Backbone interact. energy: -0.010
local terms energy: -108.240533
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -23.435
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: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -234.564392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.564392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.564392 (E_RNA)
where:
Base-Base interactions energy: -147.972
where: short stacking energy: -69.658
Base-Backbone interact. energy: 2.456
local terms energy: -89.048362
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -13.994
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: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -218.171376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.171376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.171376 (E_RNA)
where:
Base-Base interactions energy: -119.871
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.241
local terms energy: -98.059000
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -12.230
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: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -222.862466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.862466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.862466 (E_RNA)
where:
Base-Base interactions energy: -126.968
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.395
local terms energy: -95.499826
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -14.210
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: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -133.604343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.604343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.604343 (E_RNA)
where:
Base-Base interactions energy: -56.993
where: short stacking energy: -32.339
Base-Backbone interact. energy: -0.240
local terms energy: -76.370984
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -2.685
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: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -114.450410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.450410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.450410 (E_RNA)
where:
Base-Base interactions energy: -41.457
where: short stacking energy: -27.846
Base-Backbone interact. energy: -0.150
local terms energy: -72.843568
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -334.592604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.592604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.592604 (E_RNA)
where:
Base-Base interactions energy: -213.805
where: short stacking energy: -101.294
Base-Backbone interact. energy: -0.007
local terms energy: -120.780652
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -25.768
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -32.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -357.472873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.472873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.472873 (E_RNA)
where:
Base-Base interactions energy: -238.978
where: short stacking energy: -109.015
Base-Backbone interact. energy: -0.173
local terms energy: -118.321736
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -26.519
flat angles C4'-P-C4' energy: -26.236
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -30.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -316.124014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.124014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.124014 (E_RNA)
where:
Base-Base interactions energy: -201.954
where: short stacking energy: -96.134
Base-Backbone interact. energy: -0.086
local terms energy: -114.084815
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -29.915
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: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -303.009773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.009773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.009773 (E_RNA)
where:
Base-Base interactions energy: -189.882
where: short stacking energy: -87.513
Base-Backbone interact. energy: 0.139
local terms energy: -113.266727
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -26.979
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: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -252.364660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.364660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.364660 (E_RNA)
where:
Base-Base interactions energy: -151.143
where: short stacking energy: -78.003
Base-Backbone interact. energy: -0.189
local terms energy: -101.033066
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -21.850
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: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -219.778310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.778310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.778310 (E_RNA)
where:
Base-Base interactions energy: -135.967
where: short stacking energy: -46.611
Base-Backbone interact. energy: 1.983
local terms energy: -85.794172
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -234.191794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.191794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.191794 (E_RNA)
where:
Base-Base interactions energy: -136.404
where: short stacking energy: -56.002
Base-Backbone interact. energy: -0.604
local terms energy: -97.184125
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -15.709
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: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -223.123836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.123836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.123836 (E_RNA)
where:
Base-Base interactions energy: -133.467
where: short stacking energy: -63.760
Base-Backbone interact. energy: -0.539
local terms energy: -89.117727
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -17.925
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: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -154.981401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.981401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.981401 (E_RNA)
where:
Base-Base interactions energy: -72.706
where: short stacking energy: -34.680
Base-Backbone interact. energy: 1.766
local terms energy: -84.041470
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -12.175
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: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -116.391165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.391165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.391165 (E_RNA)
where:
Base-Base interactions energy: -34.923
where: short stacking energy: -35.881
Base-Backbone interact. energy: -0.369
local terms energy: -81.098921
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -18.441
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -364.620665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.620665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.620665 (E_RNA)
where:
Base-Base interactions energy: -241.574
where: short stacking energy: -111.386
Base-Backbone interact. energy: -0.210
local terms energy: -122.836446
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -34.107
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: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -318.612454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.612454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.612454 (E_RNA)
where:
Base-Base interactions energy: -207.360
where: short stacking energy: -108.188
Base-Backbone interact. energy: 1.778
local terms energy: -113.029903
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -33.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -321.975632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.975632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.975632 (E_RNA)
where:
Base-Base interactions energy: -211.371
where: short stacking energy: -97.286
Base-Backbone interact. energy: -0.128
local terms energy: -110.476482
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -288.134005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.134005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.134005 (E_RNA)
where:
Base-Base interactions energy: -189.491
where: short stacking energy: -86.113
Base-Backbone interact. energy: -0.237
local terms energy: -98.406300
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -253.961071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.961071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.961071 (E_RNA)
where:
Base-Base interactions energy: -155.624
where: short stacking energy: -74.053
Base-Backbone interact. energy: -0.170
local terms energy: -98.166796
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -230.617724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.617724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.617724 (E_RNA)
where:
Base-Base interactions energy: -145.982
where: short stacking energy: -65.332
Base-Backbone interact. energy: 0.796
local terms energy: -85.431305
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -12.378
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: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -231.980315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.980315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.980315 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.777
local terms energy: -88.899035
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -15.427
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: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -237.204252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.204252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.204252 (E_RNA)
where:
Base-Base interactions energy: -151.672
where: short stacking energy: -74.469
Base-Backbone interact. energy: -0.185
local terms energy: -85.347910
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -172.765384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.765384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.765384 (E_RNA)
where:
Base-Base interactions energy: -92.876
where: short stacking energy: -41.652
Base-Backbone interact. energy: -1.033
local terms energy: -78.856891
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -11.058
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: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -117.609356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.609356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.609356 (E_RNA)
where:
Base-Base interactions energy: -44.268
where: short stacking energy: -42.543
Base-Backbone interact. energy: 2.675
local terms energy: -76.016996
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -364.747587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.747587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.747587 (E_RNA)
where:
Base-Base interactions energy: -242.557
where: short stacking energy: -105.199
Base-Backbone interact. energy: -0.159
local terms energy: -122.032277
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -32.084
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: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -322.923175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.923175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.923175 (E_RNA)
where:
Base-Base interactions energy: -217.262
where: short stacking energy: -97.692
Base-Backbone interact. energy: 1.492
local terms energy: -107.152729
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -329.492407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.492407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.492407 (E_RNA)
where:
Base-Base interactions energy: -209.798
where: short stacking energy: -110.461
Base-Backbone interact. energy: -0.064
local terms energy: -119.630445
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -33.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -290.224933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.224933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.224933 (E_RNA)
where:
Base-Base interactions energy: -181.299
where: short stacking energy: -91.642
Base-Backbone interact. energy: -0.694
local terms energy: -108.232093
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -24.583
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: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -239.294498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.294498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.294498 (E_RNA)
where:
Base-Base interactions energy: -143.571
where: short stacking energy: -61.766
Base-Backbone interact. energy: -0.400
local terms energy: -95.323691
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -13.420
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: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -244.162037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.162037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.162037 (E_RNA)
where:
Base-Base interactions energy: -157.562
where: short stacking energy: -84.963
Base-Backbone interact. energy: -0.116
local terms energy: -86.484208
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -31.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -221.223717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.223717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.223717 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -67.151
Base-Backbone interact. energy: 1.988
local terms energy: -81.391057
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -225.003242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.003242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.003242 (E_RNA)
where:
Base-Base interactions energy: -137.975
where: short stacking energy: -66.100
Base-Backbone interact. energy: -0.482
local terms energy: -86.546930
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -131.474331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.474331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.474331 (E_RNA)
where:
Base-Base interactions energy: -58.961
where: short stacking energy: -23.876
Base-Backbone interact. energy: -0.339
local terms energy: -72.174671
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -108.389116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.389116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.389116 (E_RNA)
where:
Base-Base interactions energy: -32.875
where: short stacking energy: -31.236
Base-Backbone interact. energy: -0.369
local terms energy: -75.144993
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -5.739
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: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -368.112658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.112658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.112658 (E_RNA)
where:
Base-Base interactions energy: -244.870
where: short stacking energy: -108.159
Base-Backbone interact. energy: -0.202
local terms energy: -123.040802
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -31.448
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: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -331.904494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.904494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.904494 (E_RNA)
where:
Base-Base interactions energy: -215.708
where: short stacking energy: -103.996
Base-Backbone interact. energy: -0.145
local terms energy: -116.051506
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -27.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -311.547725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.547725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.547725 (E_RNA)
where:
Base-Base interactions energy: -198.606
where: short stacking energy: -94.539
Base-Backbone interact. energy: -0.160
local terms energy: -112.781199
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -29.360
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: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -286.763797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.763797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.763797 (E_RNA)
where:
Base-Base interactions energy: -179.900
where: short stacking energy: -80.329
Base-Backbone interact. energy: -0.230
local terms energy: -106.633820
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -26.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -257.576655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.576655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.576655 (E_RNA)
where:
Base-Base interactions energy: -158.358
where: short stacking energy: -84.402
Base-Backbone interact. energy: 0.356
local terms energy: -99.574778
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -21.019
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: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -222.409370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.409370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.409370 (E_RNA)
where:
Base-Base interactions energy: -138.485
where: short stacking energy: -74.186
Base-Backbone interact. energy: -0.083
local terms energy: -83.841742
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -7.681
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: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -237.880272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.880272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.880272 (E_RNA)
where:
Base-Base interactions energy: -140.561
where: short stacking energy: -69.939
Base-Backbone interact. energy: 0.781
local terms energy: -98.099410
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -211.887312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.887312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.887312 (E_RNA)
where:
Base-Base interactions energy: -122.618
where: short stacking energy: -66.967
Base-Backbone interact. energy: 1.639
local terms energy: -90.908073
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -103.639329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.639329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.639329 (E_RNA)
where:
Base-Base interactions energy: -27.286
where: short stacking energy: -20.545
Base-Backbone interact. energy: -0.414
local terms energy: -75.939341
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: 3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -115.848737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.848737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.848737 (E_RNA)
where:
Base-Base interactions energy: -49.806
where: short stacking energy: -34.231
Base-Backbone interact. energy: -0.248
local terms energy: -65.794699
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -361.168714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.168714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.168714 (E_RNA)
where:
Base-Base interactions energy: -238.496
where: short stacking energy: -100.427
Base-Backbone interact. energy: -0.216
local terms energy: -122.457087
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -30.645
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: 309
Temperature: 0.950000
Total energy: -322.432968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.432968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.432968 (E_RNA)
where:
Base-Base interactions energy: -199.771
where: short stacking energy: -102.012
Base-Backbone interact. energy: -0.111
local terms energy: -122.551321
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -321.540805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.540805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.540805 (E_RNA)
where:
Base-Base interactions energy: -201.964
where: short stacking energy: -94.107
Base-Backbone interact. energy: -0.174
local terms energy: -119.403064
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -31.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -289.974189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.974189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.974189 (E_RNA)
where:
Base-Base interactions energy: -179.685
where: short stacking energy: -76.686
Base-Backbone interact. energy: -0.003
local terms energy: -110.285422
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -25.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -253.297415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.297415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.297415 (E_RNA)
where:
Base-Base interactions energy: -151.838
where: short stacking energy: -75.664
Base-Backbone interact. energy: -0.089
local terms energy: -101.369786
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -250.560797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.560797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.560797 (E_RNA)
where:
Base-Base interactions energy: -148.210
where: short stacking energy: -67.202
Base-Backbone interact. energy: -0.472
local terms energy: -101.878054
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -25.425
flat angles P-C4'-P energy: -19.767
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -224.828102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.828102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.828102 (E_RNA)
where:
Base-Base interactions energy: -145.101
where: short stacking energy: -59.445
Base-Backbone interact. energy: 0.133
local terms energy: -79.859687
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -16.766
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: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -224.216888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.216888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.216888 (E_RNA)
where:
Base-Base interactions energy: -135.846
where: short stacking energy: -62.288
Base-Backbone interact. energy: 0.047
local terms energy: -88.418466
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -11.863
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: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -123.759500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.759500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.759500 (E_RNA)
where:
Base-Base interactions energy: -53.052
where: short stacking energy: -53.052
Base-Backbone interact. energy: -0.118
local terms energy: -70.588881
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -2.821
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -116.512401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.512401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.512401 (E_RNA)
where:
Base-Base interactions energy: -45.965
where: short stacking energy: -26.593
Base-Backbone interact. energy: 1.256
local terms energy: -71.803843
where:
bonds (distance) C4'-P energy: -23.194
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -364.934376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.934376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.934376 (E_RNA)
where:
Base-Base interactions energy: -238.567
where: short stacking energy: -104.759
Base-Backbone interact. energy: -0.853
local terms energy: -125.514121
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -31.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -318.432417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.432417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.432417 (E_RNA)
where:
Base-Base interactions energy: -209.021
where: short stacking energy: -101.543
Base-Backbone interact. energy: -0.466
local terms energy: -108.945481
where:
bonds (distance) C4'-P energy: -24.843
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -24.883
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -25.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -312.268575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.268575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.268575 (E_RNA)
where:
Base-Base interactions energy: -192.126
where: short stacking energy: -102.005
Base-Backbone interact. energy: -0.000
local terms energy: -120.142343
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -32.295
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: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -294.730040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.730040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.730040 (E_RNA)
where:
Base-Base interactions energy: -194.534
where: short stacking energy: -82.716
Base-Backbone interact. energy: -0.351
local terms energy: -99.845402
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -10.590
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: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -240.721381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.721381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.721381 (E_RNA)
where:
Base-Base interactions energy: -142.061
where: short stacking energy: -70.916
Base-Backbone interact. energy: -0.310
local terms energy: -98.350464
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -24.109
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -261.092875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.092875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.092875 (E_RNA)
where:
Base-Base interactions energy: -156.625
where: short stacking energy: -79.205
Base-Backbone interact. energy: -0.160
local terms energy: -104.307636
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -243.350458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.350458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.350458 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -69.959
Base-Backbone interact. energy: 0.426
local terms energy: -92.357666
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -218.073596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.073596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.073596 (E_RNA)
where:
Base-Base interactions energy: -145.195
where: short stacking energy: -70.659
Base-Backbone interact. energy: 0.699
local terms energy: -73.577211
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -1.321
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -120.482516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.482516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.482516 (E_RNA)
where:
Base-Base interactions energy: -37.923
where: short stacking energy: -36.509
Base-Backbone interact. energy: -0.738
local terms energy: -81.822104
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -108.999913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.999913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.999913 (E_RNA)
where:
Base-Base interactions energy: -62.138
where: short stacking energy: -42.966
Base-Backbone interact. energy: -0.775
local terms energy: -46.086862
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -369.000626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.000626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.000626 (E_RNA)
where:
Base-Base interactions energy: -249.236
where: short stacking energy: -111.693
Base-Backbone interact. energy: -0.122
local terms energy: -119.642808
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -32.945
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: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -314.953958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.953958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.953958 (E_RNA)
where:
Base-Base interactions energy: -201.953
where: short stacking energy: -95.422
Base-Backbone interact. energy: 0.397
local terms energy: -113.398461
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -28.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -310.846327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.846327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.846327 (E_RNA)
where:
Base-Base interactions energy: -192.967
where: short stacking energy: -86.298
Base-Backbone interact. energy: -0.252
local terms energy: -117.627790
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -26.203
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: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -304.211540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.211540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.211540 (E_RNA)
where:
Base-Base interactions energy: -200.096
where: short stacking energy: -94.056
Base-Backbone interact. energy: -0.890
local terms energy: -103.225016
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -26.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -255.500359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.500359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.500359 (E_RNA)
where:
Base-Base interactions energy: -162.759
where: short stacking energy: -74.651
Base-Backbone interact. energy: -0.330
local terms energy: -92.411248
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -258.165462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.165462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.165462 (E_RNA)
where:
Base-Base interactions energy: -166.591
where: short stacking energy: -94.754
Base-Backbone interact. energy: 1.563
local terms energy: -93.136683
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -253.677300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.677300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.677300 (E_RNA)
where:
Base-Base interactions energy: -154.112
where: short stacking energy: -87.005
Base-Backbone interact. energy: -0.603
local terms energy: -98.962146
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -26.969
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: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -217.300350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.300350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.300350 (E_RNA)
where:
Base-Base interactions energy: -124.102
where: short stacking energy: -55.261
Base-Backbone interact. energy: 0.962
local terms energy: -94.161064
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -14.375
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: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -105.433806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.433806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.433806 (E_RNA)
where:
Base-Base interactions energy: -36.186
where: short stacking energy: -25.460
Base-Backbone interact. energy: -0.514
local terms energy: -68.733109
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: 6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -102.242935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.242935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.242935 (E_RNA)
where:
Base-Base interactions energy: -41.954
where: short stacking energy: -24.945
Base-Backbone interact. energy: -0.863
local terms energy: -59.425405
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: 7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -364.459526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.459526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.459526 (E_RNA)
where:
Base-Base interactions energy: -243.168
where: short stacking energy: -105.175
Base-Backbone interact. energy: -0.218
local terms energy: -121.073795
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -24.610
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -317.449643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.449643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.449643 (E_RNA)
where:
Base-Base interactions energy: -200.655
where: short stacking energy: -94.655
Base-Backbone interact. energy: -0.257
local terms energy: -116.538154
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -29.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -310.271462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.271462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.271462 (E_RNA)
where:
Base-Base interactions energy: -203.516
where: short stacking energy: -98.922
Base-Backbone interact. energy: -0.026
local terms energy: -106.729981
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -28.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -289.773665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.773665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.773665 (E_RNA)
where:
Base-Base interactions energy: -181.695
where: short stacking energy: -86.558
Base-Backbone interact. energy: -1.166
local terms energy: -106.912902
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -262.753554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.753554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.753554 (E_RNA)
where:
Base-Base interactions energy: -159.518
where: short stacking energy: -84.238
Base-Backbone interact. energy: -0.016
local terms energy: -103.219789
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -25.095
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: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -247.243840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.243840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.243840 (E_RNA)
where:
Base-Base interactions energy: -150.245
where: short stacking energy: -77.263
Base-Backbone interact. energy: -0.274
local terms energy: -96.724473
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -13.570
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -243.092522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.092522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.092522 (E_RNA)
where:
Base-Base interactions energy: -141.489
where: short stacking energy: -70.527
Base-Backbone interact. energy: 0.159
local terms energy: -101.762665
where:
bonds (distance) C4'-P energy: -24.617
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -231.188648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.188648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.188648 (E_RNA)
where:
Base-Base interactions energy: -136.835
where: short stacking energy: -56.813
Base-Backbone interact. energy: -2.529
local terms energy: -91.824325
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -12.602
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: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -156.680693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.680693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.680693 (E_RNA)
where:
Base-Base interactions energy: -81.748
where: short stacking energy: -43.842
Base-Backbone interact. energy: 0.654
local terms energy: -75.587145
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -5.914
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: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -110.458544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.458544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.458544 (E_RNA)
where:
Base-Base interactions energy: -24.733
where: short stacking energy: -24.316
Base-Backbone interact. energy: 1.124
local terms energy: -86.849721
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -358.027705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.027705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.027705 (E_RNA)
where:
Base-Base interactions energy: -244.077
where: short stacking energy: -105.354
Base-Backbone interact. energy: 1.135
local terms energy: -115.086098
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -33.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -332.451105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.451105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.451105 (E_RNA)
where:
Base-Base interactions energy: -210.303
where: short stacking energy: -104.421
Base-Backbone interact. energy: -0.207
local terms energy: -121.941221
where:
bonds (distance) C4'-P energy: -27.178
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -29.506
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: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -312.740286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.740286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.740286 (E_RNA)
where:
Base-Base interactions energy: -195.356
where: short stacking energy: -100.124
Base-Backbone interact. energy: -0.025
local terms energy: -117.359143
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -29.282
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: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -260.108100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.108100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.108100 (E_RNA)
where:
Base-Base interactions energy: -166.759
where: short stacking energy: -78.167
Base-Backbone interact. energy: -0.013
local terms energy: -93.336265
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -20.374
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: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -285.167060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.167060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.167060 (E_RNA)
where:
Base-Base interactions energy: -190.325
where: short stacking energy: -89.049
Base-Backbone interact. energy: -0.406
local terms energy: -94.435153
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -253.723152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.723152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.723152 (E_RNA)
where:
Base-Base interactions energy: -154.292
where: short stacking energy: -77.026
Base-Backbone interact. energy: -0.048
local terms energy: -99.383551
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -233.836843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.836843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.836843 (E_RNA)
where:
Base-Base interactions energy: -142.163
where: short stacking energy: -67.224
Base-Backbone interact. energy: -0.588
local terms energy: -91.086417
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -211.162263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.162263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.162263 (E_RNA)
where:
Base-Base interactions energy: -127.653
where: short stacking energy: -54.451
Base-Backbone interact. energy: -0.062
local terms energy: -83.447424
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -140.133125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.133125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.133125 (E_RNA)
where:
Base-Base interactions energy: -78.247
where: short stacking energy: -45.677
Base-Backbone interact. energy: -0.490
local terms energy: -61.395840
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -110.818850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.818850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.818850 (E_RNA)
where:
Base-Base interactions energy: -42.229
where: short stacking energy: -42.229
Base-Backbone interact. energy: -0.359
local terms energy: -68.230510
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -357.990819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.990819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.990819 (E_RNA)
where:
Base-Base interactions energy: -239.326
where: short stacking energy: -108.295
Base-Backbone interact. energy: -1.194
local terms energy: -117.470204
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -25.567
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -31.315
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -330.484289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.484289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.484289 (E_RNA)
where:
Base-Base interactions energy: -213.781
where: short stacking energy: -99.684
Base-Backbone interact. energy: -0.072
local terms energy: -116.631099
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -25.084
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -30.298
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: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -326.274814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.274814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.274814 (E_RNA)
where:
Base-Base interactions energy: -203.851
where: short stacking energy: -100.713
Base-Backbone interact. energy: -0.010
local terms energy: -122.413494
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -31.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -261.183490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.183490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.183490 (E_RNA)
where:
Base-Base interactions energy: -165.462
where: short stacking energy: -73.031
Base-Backbone interact. energy: 1.881
local terms energy: -97.603229
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -254.393545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.393545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.393545 (E_RNA)
where:
Base-Base interactions energy: -155.845
where: short stacking energy: -77.976
Base-Backbone interact. energy: -0.199
local terms energy: -98.350260
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -275.145424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.145424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.145424 (E_RNA)
where:
Base-Base interactions energy: -180.315
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.113
local terms energy: -94.717059
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -234.978027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.978027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.978027 (E_RNA)
where:
Base-Base interactions energy: -146.155
where: short stacking energy: -68.376
Base-Backbone interact. energy: -0.694
local terms energy: -88.128169
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -11.325
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: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -224.870787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.870787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.870787 (E_RNA)
where:
Base-Base interactions energy: -128.933
where: short stacking energy: -61.032
Base-Backbone interact. energy: -0.211
local terms energy: -95.727396
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -12.456
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: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -133.971048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.971048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.971048 (E_RNA)
where:
Base-Base interactions energy: -43.920
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.530
local terms energy: -89.521065
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -112.738012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.738012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.738012 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -27.726
Base-Backbone interact. energy: -0.397
local terms energy: -68.110993
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -363.122571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.122571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.122571 (E_RNA)
where:
Base-Base interactions energy: -245.597
where: short stacking energy: -113.445
Base-Backbone interact. energy: -0.717
local terms energy: -116.808611
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -319.381776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.381776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.381776 (E_RNA)
where:
Base-Base interactions energy: -204.448
where: short stacking energy: -106.245
Base-Backbone interact. energy: -0.138
local terms energy: -114.795453
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -30.140
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: 315
Temperature: 1.000000
Total energy: -318.506257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.506257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.506257 (E_RNA)
where:
Base-Base interactions energy: -205.344
where: short stacking energy: -96.682
Base-Backbone interact. energy: -0.074
local terms energy: -113.088334
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -28.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -257.877061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.877061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.877061 (E_RNA)
where:
Base-Base interactions energy: -149.367
where: short stacking energy: -71.061
Base-Backbone interact. energy: -0.261
local terms energy: -108.248862
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -26.596
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -260.121828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.121828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.121828 (E_RNA)
where:
Base-Base interactions energy: -154.128
where: short stacking energy: -80.092
Base-Backbone interact. energy: -0.272
local terms energy: -105.720902
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -288.191344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.191344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.191344 (E_RNA)
where:
Base-Base interactions energy: -178.434
where: short stacking energy: -91.481
Base-Backbone interact. energy: -0.018
local terms energy: -109.739454
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -15.384
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: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -235.414047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.414047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.414047 (E_RNA)
where:
Base-Base interactions energy: -148.750
where: short stacking energy: -76.509
Base-Backbone interact. energy: 2.967
local terms energy: -89.630694
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -224.011596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.011596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.011596 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -59.775
Base-Backbone interact. energy: -0.068
local terms energy: -91.668414
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -141.944309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.944309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.944309 (E_RNA)
where:
Base-Base interactions energy: -60.041
where: short stacking energy: -29.936
Base-Backbone interact. energy: -0.248
local terms energy: -81.655603
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -103.878053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.878053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.878053 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.935
local terms energy: -71.416727
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -0.595
tors. eta vs tors. theta energy: -3.152
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: 316
Temperature: 0.900000
Total energy: -364.386463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.386463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.386463 (E_RNA)
where:
Base-Base interactions energy: -245.732
where: short stacking energy: -109.808
Base-Backbone interact. energy: -0.113
local terms energy: -118.541667
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -27.859
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: 316
Temperature: 0.950000
Total energy: -326.374921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.374921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.374921 (E_RNA)
where:
Base-Base interactions energy: -220.001
where: short stacking energy: -102.129
Base-Backbone interact. energy: -0.134
local terms energy: -106.240012
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -25.672
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: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -322.451355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.451355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.451355 (E_RNA)
where:
Base-Base interactions energy: -207.689
where: short stacking energy: -99.389
Base-Backbone interact. energy: 0.805
local terms energy: -115.567373
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -266.972987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.972987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.972987 (E_RNA)
where:
Base-Base interactions energy: -160.565
where: short stacking energy: -77.669
Base-Backbone interact. energy: -0.014
local terms energy: -106.394320
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -316.317229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.317229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.317229 (E_RNA)
where:
Base-Base interactions energy: -199.079
where: short stacking energy: -103.750
Base-Backbone interact. energy: -2.840
local terms energy: -114.398831
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -30.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -242.481301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.481301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.481301 (E_RNA)
where:
Base-Base interactions energy: -147.870
where: short stacking energy: -65.376
Base-Backbone interact. energy: -0.120
local terms energy: -94.491590
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -27.474
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -245.477798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.477798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.477798 (E_RNA)
where:
Base-Base interactions energy: -143.430
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.266
local terms energy: -101.781272
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -20.391
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: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -202.915494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.915494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.915494 (E_RNA)
where:
Base-Base interactions energy: -112.350
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.684
local terms energy: -89.881725
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -128.848195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.848195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.848195 (E_RNA)
where:
Base-Base interactions energy: -50.815
where: short stacking energy: -44.064
Base-Backbone interact. energy: -0.197
local terms energy: -77.835572
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -7.936
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: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -96.536282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.536282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.536282 (E_RNA)
where:
Base-Base interactions energy: -35.546
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.428
local terms energy: -60.561756
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -363.427252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.427252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.427252 (E_RNA)
where:
Base-Base interactions energy: -237.696
where: short stacking energy: -123.016
Base-Backbone interact. energy: -0.430
local terms energy: -125.301034
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -38.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -327.167301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.167301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.167301 (E_RNA)
where:
Base-Base interactions energy: -207.607
where: short stacking energy: -99.606
Base-Backbone interact. energy: -0.401
local terms energy: -119.159891
where:
bonds (distance) C4'-P energy: -26.359
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -28.380
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: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -329.171342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.171342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.171342 (E_RNA)
where:
Base-Base interactions energy: -215.657
where: short stacking energy: -103.669
Base-Backbone interact. energy: -0.106
local terms energy: -113.407894
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -29.911
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: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -261.062232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.062232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.062232 (E_RNA)
where:
Base-Base interactions energy: -153.603
where: short stacking energy: -87.433
Base-Backbone interact. energy: -0.065
local terms energy: -107.394624
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -15.158
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: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -326.023431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.023431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.023431 (E_RNA)
where:
Base-Base interactions energy: -215.078
where: short stacking energy: -92.272
Base-Backbone interact. energy: -0.046
local terms energy: -110.898607
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -251.177524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.177524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.177524 (E_RNA)
where:
Base-Base interactions energy: -146.992
where: short stacking energy: -78.532
Base-Backbone interact. energy: -0.888
local terms energy: -103.297239
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -247.631644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.631644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.631644 (E_RNA)
where:
Base-Base interactions energy: -154.122
where: short stacking energy: -69.475
Base-Backbone interact. energy: -0.121
local terms energy: -93.388049
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -127.962459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.962459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.962459 (E_RNA)
where:
Base-Base interactions energy: -53.407
where: short stacking energy: -46.201
Base-Backbone interact. energy: -1.246
local terms energy: -73.309876
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: 1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -171.199506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.199506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.199506 (E_RNA)
where:
Base-Base interactions energy: -97.991
where: short stacking energy: -49.623
Base-Backbone interact. energy: 0.827
local terms energy: -74.034977
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -111.756817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.756817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.756817 (E_RNA)
where:
Base-Base interactions energy: -32.752
where: short stacking energy: -32.752
Base-Backbone interact. energy: -0.036
local terms energy: -78.968481
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -355.540432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.540432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.540432 (E_RNA)
where:
Base-Base interactions energy: -229.783
where: short stacking energy: -104.224
Base-Backbone interact. energy: -1.245
local terms energy: -124.512010
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -31.991
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: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -319.920376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.920376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.920376 (E_RNA)
where:
Base-Base interactions energy: -204.414
where: short stacking energy: -98.174
Base-Backbone interact. energy: -0.689
local terms energy: -114.817842
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -24.534
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -26.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -307.679351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.679351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.679351 (E_RNA)
where:
Base-Base interactions energy: -195.873
where: short stacking energy: -97.904
Base-Backbone interact. energy: -0.148
local terms energy: -111.657626
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -27.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -242.146705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146705 (E_RNA)
where:
Base-Base interactions energy: -138.959
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.076
local terms energy: -103.111382
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -14.452
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: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -292.957852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.957852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.957852 (E_RNA)
where:
Base-Base interactions energy: -189.618
where: short stacking energy: -89.752
Base-Backbone interact. energy: -0.632
local terms energy: -102.708347
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -23.183
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: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -256.460243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.460243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.460243 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.017
local terms energy: -94.103199
where:
bonds (distance) C4'-P energy: -24.672
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -9.685
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: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -243.597264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.597264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.597264 (E_RNA)
where:
Base-Base interactions energy: -149.287
where: short stacking energy: -79.812
Base-Backbone interact. energy: -0.563
local terms energy: -93.747068
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -115.631144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.631144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.631144 (E_RNA)
where:
Base-Base interactions energy: -41.760
where: short stacking energy: -41.760
Base-Backbone interact. energy: 0.162
local terms energy: -74.032473
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -6.080
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: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -219.334571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.334571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.334571 (E_RNA)
where:
Base-Base interactions energy: -141.306
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.167
local terms energy: -77.861523
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -99.826618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.826618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.826618 (E_RNA)
where:
Base-Base interactions energy: -38.435
where: short stacking energy: -23.899
Base-Backbone interact. energy: -0.965
local terms energy: -60.426658
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -367.285308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.285308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.285308 (E_RNA)
where:
Base-Base interactions energy: -247.399
where: short stacking energy: -111.470
Base-Backbone interact. energy: -0.056
local terms energy: -119.830294
where:
bonds (distance) C4'-P energy: -24.668
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -317.182876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.182876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.182876 (E_RNA)
where:
Base-Base interactions energy: -204.548
where: short stacking energy: -94.152
Base-Backbone interact. energy: -0.130
local terms energy: -112.505377
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -24.806
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -25.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -308.051988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.051988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.051988 (E_RNA)
where:
Base-Base interactions energy: -194.585
where: short stacking energy: -94.773
Base-Backbone interact. energy: -0.344
local terms energy: -113.123032
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -21.440
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: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -297.027926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.027926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.027926 (E_RNA)
where:
Base-Base interactions energy: -203.923
where: short stacking energy: -93.165
Base-Backbone interact. energy: -0.082
local terms energy: -93.023044
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -20.329
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: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -267.708162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.708162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.708162 (E_RNA)
where:
Base-Base interactions energy: -167.468
where: short stacking energy: -95.555
Base-Backbone interact. energy: -0.075
local terms energy: -100.165359
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -26.462
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: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -227.606658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.606658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.606658 (E_RNA)
where:
Base-Base interactions energy: -138.832
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.058
local terms energy: -88.716384
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -25.319
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -252.708178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.708178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.708178 (E_RNA)
where:
Base-Base interactions energy: -155.829
where: short stacking energy: -84.320
Base-Backbone interact. energy: -0.148
local terms energy: -96.730865
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -13.234
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: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -221.301070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.301070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.301070 (E_RNA)
where:
Base-Base interactions energy: -138.953
where: short stacking energy: -62.739
Base-Backbone interact. energy: 0.160
local terms energy: -82.508796
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -10.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -118.463246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.463246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.463246 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.297
local terms energy: -82.807296
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -113.657897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.657897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.657897 (E_RNA)
where:
Base-Base interactions energy: -47.876
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.669
local terms energy: -65.112790
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -359.614646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.614646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.614646 (E_RNA)
where:
Base-Base interactions energy: -241.649
where: short stacking energy: -103.679
Base-Backbone interact. energy: -0.124
local terms energy: -117.842189
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -25.570
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -28.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -317.339470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.339470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.339470 (E_RNA)
where:
Base-Base interactions energy: -205.084
where: short stacking energy: -97.790
Base-Backbone interact. energy: -0.010
local terms energy: -112.245366
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -26.045
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -320.007093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.007093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.007093 (E_RNA)
where:
Base-Base interactions energy: -212.774
where: short stacking energy: -87.385
Base-Backbone interact. energy: -0.270
local terms energy: -106.963249
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -298.101450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.101450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.101450 (E_RNA)
where:
Base-Base interactions energy: -181.596
where: short stacking energy: -96.887
Base-Backbone interact. energy: -0.073
local terms energy: -116.432442
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -25.872
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: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -226.883940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.883940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.883940 (E_RNA)
where:
Base-Base interactions energy: -127.578
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.078
local terms energy: -99.227719
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -16.811
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: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -266.556445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.556445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.556445 (E_RNA)
where:
Base-Base interactions energy: -160.730
where: short stacking energy: -82.734
Base-Backbone interact. energy: 0.751
local terms energy: -106.577467
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -23.885
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: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -249.157252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.157252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.157252 (E_RNA)
where:
Base-Base interactions energy: -152.442
where: short stacking energy: -68.130
Base-Backbone interact. energy: -1.450
local terms energy: -95.265460
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -213.168044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.168044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.168044 (E_RNA)
where:
Base-Base interactions energy: -122.657
where: short stacking energy: -65.616
Base-Backbone interact. energy: -0.004
local terms energy: -90.507227
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -109.895013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895013 (E_RNA)
where:
Base-Base interactions energy: -43.109
where: short stacking energy: -43.109
Base-Backbone interact. energy: 0.340
local terms energy: -67.126032
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -100.788153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.788153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.788153 (E_RNA)
where:
Base-Base interactions energy: -39.696
where: short stacking energy: -30.497
Base-Backbone interact. energy: -0.085
local terms energy: -61.006560
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: 6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -362.404257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.404257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.404257 (E_RNA)
where:
Base-Base interactions energy: -243.723
where: short stacking energy: -109.177
Base-Backbone interact. energy: 1.110
local terms energy: -119.791900
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -34.464
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: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -332.278687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.278687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.278687 (E_RNA)
where:
Base-Base interactions energy: -221.148
where: short stacking energy: -101.684
Base-Backbone interact. energy: -0.020
local terms energy: -111.110811
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -23.827
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -25.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -306.807906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.807906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.807906 (E_RNA)
where:
Base-Base interactions energy: -197.258
where: short stacking energy: -95.456
Base-Backbone interact. energy: -0.056
local terms energy: -109.493535
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -29.286
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: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -300.160414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.160414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.160414 (E_RNA)
where:
Base-Base interactions energy: -183.740
where: short stacking energy: -87.754
Base-Backbone interact. energy: -0.233
local terms energy: -116.186842
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -29.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -268.000634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.000634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.000634 (E_RNA)
where:
Base-Base interactions energy: -161.786
where: short stacking energy: -91.808
Base-Backbone interact. energy: -0.676
local terms energy: -105.539243
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -250.399216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.399216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.399216 (E_RNA)
where:
Base-Base interactions energy: -146.380
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.431
local terms energy: -103.587930
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -252.529044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.529044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.529044 (E_RNA)
where:
Base-Base interactions energy: -151.386
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.692
local terms energy: -100.451521
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -17.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -212.517612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.517612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.517612 (E_RNA)
where:
Base-Base interactions energy: -119.503
where: short stacking energy: -61.672
Base-Backbone interact. energy: 0.188
local terms energy: -93.203326
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -7.948
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: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -115.054971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.054971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.054971 (E_RNA)
where:
Base-Base interactions energy: -49.489
where: short stacking energy: -40.518
Base-Backbone interact. energy: -0.329
local terms energy: -65.237603
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -4.125
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: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -110.840272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.840272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.840272 (E_RNA)
where:
Base-Base interactions energy: -47.018
where: short stacking energy: -32.161
Base-Backbone interact. energy: -0.353
local terms energy: -63.468753
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -358.038733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.038733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.038733 (E_RNA)
where:
Base-Base interactions energy: -241.548
where: short stacking energy: -108.384
Base-Backbone interact. energy: -0.295
local terms energy: -116.196486
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -33.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -337.726796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.726796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.726796 (E_RNA)
where:
Base-Base interactions energy: -218.756
where: short stacking energy: -101.778
Base-Backbone interact. energy: -0.155
local terms energy: -118.815912
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -29.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -306.982887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.982887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.982887 (E_RNA)
where:
Base-Base interactions energy: -200.259
where: short stacking energy: -101.570
Base-Backbone interact. energy: -0.078
local terms energy: -106.646027
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -16.267
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: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -303.335748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.335748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.335748 (E_RNA)
where:
Base-Base interactions energy: -193.053
where: short stacking energy: -94.883
Base-Backbone interact. energy: -0.555
local terms energy: -109.728353
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -27.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -260.237552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.237552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.237552 (E_RNA)
where:
Base-Base interactions energy: -154.119
where: short stacking energy: -69.036
Base-Backbone interact. energy: 0.138
local terms energy: -106.257000
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -26.727
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -246.023240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.023240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.023240 (E_RNA)
where:
Base-Base interactions energy: -165.334
where: short stacking energy: -67.490
Base-Backbone interact. energy: -1.079
local terms energy: -79.610577
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -15.778
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: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -230.311453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.311453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.311453 (E_RNA)
where:
Base-Base interactions energy: -147.463
where: short stacking energy: -64.548
Base-Backbone interact. energy: 0.124
local terms energy: -82.972348
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -23.793
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -12.932
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: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -192.260798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.260798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.260798 (E_RNA)
where:
Base-Base interactions energy: -105.213
where: short stacking energy: -53.810
Base-Backbone interact. energy: -0.233
local terms energy: -86.814767
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -8.121
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: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -125.082880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.082880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.082880 (E_RNA)
where:
Base-Base interactions energy: -44.912
where: short stacking energy: -33.716
Base-Backbone interact. energy: -0.751
local terms energy: -79.419293
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -118.910661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.910661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.910661 (E_RNA)
where:
Base-Base interactions energy: -43.465
where: short stacking energy: -36.444
Base-Backbone interact. energy: 0.646
local terms energy: -76.091310
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -360.344022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.344022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.344022 (E_RNA)
where:
Base-Base interactions energy: -239.417
where: short stacking energy: -99.263
Base-Backbone interact. energy: -0.616
local terms energy: -120.311021
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -30.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -353.183696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.183696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.183696 (E_RNA)
where:
Base-Base interactions energy: -230.280
where: short stacking energy: -109.001
Base-Backbone interact. energy: -0.011
local terms energy: -122.892673
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -25.864
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -34.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -295.734220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.734220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.734220 (E_RNA)
where:
Base-Base interactions energy: -180.052
where: short stacking energy: -89.163
Base-Backbone interact. energy: -0.234
local terms energy: -115.447784
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -28.068
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -28.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -295.521199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.521199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.521199 (E_RNA)
where:
Base-Base interactions energy: -186.592
where: short stacking energy: -91.004
Base-Backbone interact. energy: -0.078
local terms energy: -108.851436
where:
bonds (distance) C4'-P energy: -26.080
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -24.149
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -249.310725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.310725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.310725 (E_RNA)
where:
Base-Base interactions energy: -139.079
where: short stacking energy: -78.098
Base-Backbone interact. energy: -0.061
local terms energy: -110.171075
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -252.795522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.795522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.795522 (E_RNA)
where:
Base-Base interactions energy: -156.045
where: short stacking energy: -73.669
Base-Backbone interact. energy: 0.627
local terms energy: -97.377906
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -236.315511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.315511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.315511 (E_RNA)
where:
Base-Base interactions energy: -150.597
where: short stacking energy: -77.385
Base-Backbone interact. energy: 4.108
local terms energy: -89.826114
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -13.591
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: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -187.962479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.962479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.962479 (E_RNA)
where:
Base-Base interactions energy: -104.278
where: short stacking energy: -51.255
Base-Backbone interact. energy: -0.338
local terms energy: -83.346517
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -10.686
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: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -111.877712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.877712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.877712 (E_RNA)
where:
Base-Base interactions energy: -39.095
where: short stacking energy: -36.648
Base-Backbone interact. energy: -0.502
local terms energy: -72.281004
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -14.326
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: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -99.842387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.842387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.842387 (E_RNA)
where:
Base-Base interactions energy: -32.492
where: short stacking energy: -30.426
Base-Backbone interact. energy: -0.265
local terms energy: -67.086208
where:
bonds (distance) C4'-P energy: -22.390
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -364.739316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.739316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.739316 (E_RNA)
where:
Base-Base interactions energy: -243.593
where: short stacking energy: -105.124
Base-Backbone interact. energy: -0.713
local terms energy: -120.433462
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -28.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -356.113136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.113136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.113136 (E_RNA)
where:
Base-Base interactions energy: -236.895
where: short stacking energy: -108.008
Base-Backbone interact. energy: -0.227
local terms energy: -118.991597
where:
bonds (distance) C4'-P energy: -19.128
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -27.303
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -28.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -315.203164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.203164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.203164 (E_RNA)
where:
Base-Base interactions energy: -206.009
where: short stacking energy: -100.696
Base-Backbone interact. energy: -0.133
local terms energy: -109.061683
where:
bonds (distance) C4'-P energy: -26.361
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -26.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -302.762568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.762568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.762568 (E_RNA)
where:
Base-Base interactions energy: -197.063
where: short stacking energy: -91.218
Base-Backbone interact. energy: -0.215
local terms energy: -105.484852
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -25.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -259.837716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.837716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.837716 (E_RNA)
where:
Base-Base interactions energy: -163.101
where: short stacking energy: -81.799
Base-Backbone interact. energy: -0.042
local terms energy: -96.694127
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -235.740141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.740141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.740141 (E_RNA)
where:
Base-Base interactions energy: -152.578
where: short stacking energy: -71.939
Base-Backbone interact. energy: 2.516
local terms energy: -85.678185
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -15.887
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: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -221.437617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.437617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.437617 (E_RNA)
where:
Base-Base interactions energy: -121.930
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.293
local terms energy: -99.214290
where:
bonds (distance) C4'-P energy: -23.406
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -233.638371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.638371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.638371 (E_RNA)
where:
Base-Base interactions energy: -134.109
where: short stacking energy: -66.219
Base-Backbone interact. energy: -0.185
local terms energy: -99.344553
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -115.021303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.021303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.021303 (E_RNA)
where:
Base-Base interactions energy: -39.575
where: short stacking energy: -36.034
Base-Backbone interact. energy: 0.088
local terms energy: -75.534488
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -106.201522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.201522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.201522 (E_RNA)
where:
Base-Base interactions energy: -44.596
where: short stacking energy: -25.090
Base-Backbone interact. energy: -0.248
local terms energy: -61.357497
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: 3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -361.140650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.140650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.140650 (E_RNA)
where:
Base-Base interactions energy: -238.514
where: short stacking energy: -108.509
Base-Backbone interact. energy: -0.702
local terms energy: -121.925432
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -34.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -345.657450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.657450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.657450 (E_RNA)
where:
Base-Base interactions energy: -222.809
where: short stacking energy: -103.339
Base-Backbone interact. energy: -0.499
local terms energy: -122.350051
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -29.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -307.961200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.961200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.961200 (E_RNA)
where:
Base-Base interactions energy: -196.986
where: short stacking energy: -105.477
Base-Backbone interact. energy: -0.225
local terms energy: -110.750691
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -30.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -303.716165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.716165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.716165 (E_RNA)
where:
Base-Base interactions energy: -202.779
where: short stacking energy: -93.901
Base-Backbone interact. energy: -0.746
local terms energy: -100.191222
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -247.407076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.407076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.407076 (E_RNA)
where:
Base-Base interactions energy: -148.281
where: short stacking energy: -73.386
Base-Backbone interact. energy: -0.134
local terms energy: -98.992141
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -16.799
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: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -243.407446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.407446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.407446 (E_RNA)
where:
Base-Base interactions energy: -148.934
where: short stacking energy: -74.026
Base-Backbone interact. energy: -0.308
local terms energy: -94.165285
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -216.236304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236304 (E_RNA)
where:
Base-Base interactions energy: -140.051
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.830
local terms energy: -75.355245
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -11.573
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: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -211.338712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.338712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.338712 (E_RNA)
where:
Base-Base interactions energy: -120.277
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.384
local terms energy: -90.678234
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -27.700
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -14.405
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: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -121.577368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.577368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.577368 (E_RNA)
where:
Base-Base interactions energy: -40.169
where: short stacking energy: -40.169
Base-Backbone interact. energy: -0.129
local terms energy: -81.279220
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -6.438
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: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -98.965778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.965778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.965778 (E_RNA)
where:
Base-Base interactions energy: -30.847
where: short stacking energy: -27.841
Base-Backbone interact. energy: 0.714
local terms energy: -68.832952
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: 3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -364.249552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.249552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.249552 (E_RNA)
where:
Base-Base interactions energy: -246.147
where: short stacking energy: -111.352
Base-Backbone interact. energy: -0.057
local terms energy: -118.045624
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -33.686
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: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -357.880998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.880998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.880998 (E_RNA)
where:
Base-Base interactions energy: -236.394
where: short stacking energy: -102.552
Base-Backbone interact. energy: -0.501
local terms energy: -120.985746
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -31.644
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: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -300.085135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.085135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.085135 (E_RNA)
where:
Base-Base interactions energy: -200.697
where: short stacking energy: -88.618
Base-Backbone interact. energy: 0.456
local terms energy: -99.843712
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -15.639
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: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -315.688467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.688467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.688467 (E_RNA)
where:
Base-Base interactions energy: -204.251
where: short stacking energy: -107.230
Base-Backbone interact. energy: -0.004
local terms energy: -111.434167
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -30.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -247.158335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.158335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.158335 (E_RNA)
where:
Base-Base interactions energy: -157.780
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.477
local terms energy: -88.901149
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -11.446
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: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -237.480151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.480151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.480151 (E_RNA)
where:
Base-Base interactions energy: -139.647
where: short stacking energy: -71.993
Base-Backbone interact. energy: -0.326
local terms energy: -97.506487
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -204.787797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.787797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.787797 (E_RNA)
where:
Base-Base interactions energy: -116.541
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.756
local terms energy: -87.491006
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -236.444022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.444022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.444022 (E_RNA)
where:
Base-Base interactions energy: -142.136
where: short stacking energy: -58.629
Base-Backbone interact. energy: 0.067
local terms energy: -94.374314
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -14.916
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: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -118.603384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.603384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.603384 (E_RNA)
where:
Base-Base interactions energy: -50.756
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.134
local terms energy: -67.713670
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: 0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -100.746071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.746071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.746071 (E_RNA)
where:
Base-Base interactions energy: -40.754
where: short stacking energy: -26.870
Base-Backbone interact. energy: -0.581
local terms energy: -59.411079
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -8.204
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: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -366.279751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.279751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.279751 (E_RNA)
where:
Base-Base interactions energy: -248.771
where: short stacking energy: -116.117
Base-Backbone interact. energy: -0.638
local terms energy: -116.871352
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -24.960
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -32.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -342.656742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.656742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.656742 (E_RNA)
where:
Base-Base interactions energy: -232.144
where: short stacking energy: -91.760
Base-Backbone interact. energy: -0.254
local terms energy: -110.258933
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -323.172100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.172100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.172100 (E_RNA)
where:
Base-Base interactions energy: -201.399
where: short stacking energy: -98.386
Base-Backbone interact. energy: -0.017
local terms energy: -121.756032
where:
bonds (distance) C4'-P energy: -23.471
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -32.924
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: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -269.193836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.193836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.193836 (E_RNA)
where:
Base-Base interactions energy: -183.283
where: short stacking energy: -84.850
Base-Backbone interact. energy: -0.063
local terms energy: -85.847378
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -14.929
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: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -280.535536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.535536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.535536 (E_RNA)
where:
Base-Base interactions energy: -174.998
where: short stacking energy: -77.302
Base-Backbone interact. energy: -0.139
local terms energy: -105.398467
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -20.735
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: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -224.341550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.341550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.341550 (E_RNA)
where:
Base-Base interactions energy: -131.515
where: short stacking energy: -68.316
Base-Backbone interact. energy: -0.905
local terms energy: -91.922048
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -8.067
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: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -242.266961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.266961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.266961 (E_RNA)
where:
Base-Base interactions energy: -146.974
where: short stacking energy: -67.158
Base-Backbone interact. energy: -0.771
local terms energy: -94.521192
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -14.797
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: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -213.515654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.515654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.515654 (E_RNA)
where:
Base-Base interactions energy: -139.112
where: short stacking energy: -63.915
Base-Backbone interact. energy: 3.189
local terms energy: -77.592526
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -6.137
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: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -111.088113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.088113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.088113 (E_RNA)
where:
Base-Base interactions energy: -46.340
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.775
local terms energy: -63.972978
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -12.678
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: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -111.512579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.512579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.512579 (E_RNA)
where:
Base-Base interactions energy: -42.755
where: short stacking energy: -13.004
Base-Backbone interact. energy: -0.192
local terms energy: -68.565262
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: 5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -355.924618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.924618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.924618 (E_RNA)
where:
Base-Base interactions energy: -233.182
where: short stacking energy: -102.493
Base-Backbone interact. energy: -0.060
local terms energy: -122.682350
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -33.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -353.786761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.786761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.786761 (E_RNA)
where:
Base-Base interactions energy: -243.523
where: short stacking energy: -98.973
Base-Backbone interact. energy: -0.024
local terms energy: -110.240110
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -29.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -312.804211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.804211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.804211 (E_RNA)
where:
Base-Base interactions energy: -195.969
where: short stacking energy: -109.510
Base-Backbone interact. energy: -0.009
local terms energy: -116.826189
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -30.289
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: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -293.820570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.820570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.820570 (E_RNA)
where:
Base-Base interactions energy: -193.660
where: short stacking energy: -94.610
Base-Backbone interact. energy: -0.040
local terms energy: -100.120102
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -303.373103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.373103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.373103 (E_RNA)
where:
Base-Base interactions energy: -200.584
where: short stacking energy: -92.940
Base-Backbone interact. energy: -0.680
local terms energy: -102.109097
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -27.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -213.768348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.768348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.768348 (E_RNA)
where:
Base-Base interactions energy: -128.068
where: short stacking energy: -74.553
Base-Backbone interact. energy: -0.529
local terms energy: -85.171993
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -233.053485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.053485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.053485 (E_RNA)
where:
Base-Base interactions energy: -137.293
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.283
local terms energy: -95.477787
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -246.029089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.029089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.029089 (E_RNA)
where:
Base-Base interactions energy: -140.604
where: short stacking energy: -73.024
Base-Backbone interact. energy: -0.514
local terms energy: -104.911515
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -23.644
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -19.235
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: 328
Temperature: 1.300000
Total energy: -112.697097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.697097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.697097 (E_RNA)
where:
Base-Base interactions energy: -43.602
where: short stacking energy: -40.972
Base-Backbone interact. energy: 0.600
local terms energy: -69.695477
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -106.068985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.068985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.068985 (E_RNA)
where:
Base-Base interactions energy: -43.466
where: short stacking energy: -18.527
Base-Backbone interact. energy: -0.198
local terms energy: -62.405108
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: 0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -364.119595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.119595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.119595 (E_RNA)
where:
Base-Base interactions energy: -236.114
where: short stacking energy: -109.925
Base-Backbone interact. energy: -0.760
local terms energy: -127.246219
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -26.922
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -33.840
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: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -357.851041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.851041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.851041 (E_RNA)
where:
Base-Base interactions energy: -246.703
where: short stacking energy: -103.441
Base-Backbone interact. energy: -0.258
local terms energy: -110.889580
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -31.883
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: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -301.354342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.354342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.354342 (E_RNA)
where:
Base-Base interactions energy: -182.731
where: short stacking energy: -91.250
Base-Backbone interact. energy: -0.308
local terms energy: -118.315373
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -30.543
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: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -298.476287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.476287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.476287 (E_RNA)
where:
Base-Base interactions energy: -194.534
where: short stacking energy: -97.027
Base-Backbone interact. energy: -0.085
local terms energy: -103.857164
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -267.489045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.489045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.489045 (E_RNA)
where:
Base-Base interactions energy: -172.462
where: short stacking energy: -86.181
Base-Backbone interact. energy: -0.079
local terms energy: -94.947993
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -12.415
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: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -206.927275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.927275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.927275 (E_RNA)
where:
Base-Base interactions energy: -127.188
where: short stacking energy: -65.116
Base-Backbone interact. energy: -0.244
local terms energy: -79.494617
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -217.815544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.815544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.815544 (E_RNA)
where:
Base-Base interactions energy: -126.467
where: short stacking energy: -68.847
Base-Backbone interact. energy: -0.107
local terms energy: -91.241642
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -12.410
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: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -229.542220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.542220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.542220 (E_RNA)
where:
Base-Base interactions energy: -138.312
where: short stacking energy: -65.471
Base-Backbone interact. energy: -0.186
local terms energy: -91.044544
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -130.282944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.282944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.282944 (E_RNA)
where:
Base-Base interactions energy: -49.465
where: short stacking energy: -36.068
Base-Backbone interact. energy: 0.661
local terms energy: -81.479023
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -2.591
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: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -156.219629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.219629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.219629 (E_RNA)
where:
Base-Base interactions energy: -85.948
where: short stacking energy: -46.496
Base-Backbone interact. energy: -0.716
local terms energy: -69.555265
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -362.976250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.976250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.976250 (E_RNA)
where:
Base-Base interactions energy: -237.865
where: short stacking energy: -114.829
Base-Backbone interact. energy: -0.045
local terms energy: -125.065782
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -30.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -363.886102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.886102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.886102 (E_RNA)
where:
Base-Base interactions energy: -244.257
where: short stacking energy: -106.986
Base-Backbone interact. energy: -0.077
local terms energy: -119.551999
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -31.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -303.764153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.764153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.764153 (E_RNA)
where:
Base-Base interactions energy: -196.182
where: short stacking energy: -99.777
Base-Backbone interact. energy: -0.073
local terms energy: -107.509442
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -27.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -293.247064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.247064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.247064 (E_RNA)
where:
Base-Base interactions energy: -181.540
where: short stacking energy: -85.681
Base-Backbone interact. energy: -0.372
local terms energy: -111.334709
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -21.393
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: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -276.239714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.239714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.239714 (E_RNA)
where:
Base-Base interactions energy: -171.745
where: short stacking energy: -75.581
Base-Backbone interact. energy: 0.415
local terms energy: -104.909760
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -237.782433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.782433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.782433 (E_RNA)
where:
Base-Base interactions energy: -137.670
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.213
local terms energy: -99.899865
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -244.662477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.662477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.662477 (E_RNA)
where:
Base-Base interactions energy: -144.059
where: short stacking energy: -77.003
Base-Backbone interact. energy: 1.341
local terms energy: -101.944877
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -16.824
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: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -206.590155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.590155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.590155 (E_RNA)
where:
Base-Base interactions energy: -128.114
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.218
local terms energy: -78.258706
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -255.910074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.910074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.910074 (E_RNA)
where:
Base-Base interactions energy: -154.770
where: short stacking energy: -79.406
Base-Backbone interact. energy: -0.042
local terms energy: -101.098320
where:
bonds (distance) C4'-P energy: -25.101
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -108.844134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.844134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.844134 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -39.235
Base-Backbone interact. energy: -0.095
local terms energy: -68.885732
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -362.872581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.872581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.872581 (E_RNA)
where:
Base-Base interactions energy: -242.138
where: short stacking energy: -117.605
Base-Backbone interact. energy: -0.601
local terms energy: -120.133199
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -34.391
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: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -360.703136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.703136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.703136 (E_RNA)
where:
Base-Base interactions energy: -238.063
where: short stacking energy: -106.841
Base-Backbone interact. energy: -0.280
local terms energy: -122.360658
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -37.704
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: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -302.153397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.153397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.153397 (E_RNA)
where:
Base-Base interactions energy: -194.662
where: short stacking energy: -85.725
Base-Backbone interact. energy: -0.603
local terms energy: -106.888551
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -27.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -318.786908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.786908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.786908 (E_RNA)
where:
Base-Base interactions energy: -209.318
where: short stacking energy: -96.845
Base-Backbone interact. energy: -0.836
local terms energy: -108.632838
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -279.587300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.587300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.587300 (E_RNA)
where:
Base-Base interactions energy: -179.694
where: short stacking energy: -97.497
Base-Backbone interact. energy: -0.227
local terms energy: -99.666031
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -24.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -271.113751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.113751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.113751 (E_RNA)
where:
Base-Base interactions energy: -161.528
where: short stacking energy: -77.650
Base-Backbone interact. energy: -0.138
local terms energy: -109.447609
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -26.198
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: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -232.213083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.213083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.213083 (E_RNA)
where:
Base-Base interactions energy: -135.334
where: short stacking energy: -70.218
Base-Backbone interact. energy: -0.251
local terms energy: -96.627948
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -226.612002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.612002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.612002 (E_RNA)
where:
Base-Base interactions energy: -141.354
where: short stacking energy: -61.290
Base-Backbone interact. energy: -0.302
local terms energy: -84.956714
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -199.197149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.197149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.197149 (E_RNA)
where:
Base-Base interactions energy: -115.431
where: short stacking energy: -53.034
Base-Backbone interact. energy: -0.096
local terms energy: -83.670659
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -8.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -112.219524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.219524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.219524 (E_RNA)
where:
Base-Base interactions energy: -45.557
where: short stacking energy: -35.984
Base-Backbone interact. energy: -0.647
local terms energy: -66.015566
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: 1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -373.177451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.177451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.177451 (E_RNA)
where:
Base-Base interactions energy: -244.521
where: short stacking energy: -112.136
Base-Backbone interact. energy: -0.087
local terms energy: -128.569487
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -35.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -360.804974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.804974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.804974 (E_RNA)
where:
Base-Base interactions energy: -240.983
where: short stacking energy: -114.013
Base-Backbone interact. energy: -0.037
local terms energy: -119.785169
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -34.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -310.417872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.417872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.417872 (E_RNA)
where:
Base-Base interactions energy: -200.778
where: short stacking energy: -94.107
Base-Backbone interact. energy: -1.203
local terms energy: -108.436572
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -27.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -317.129914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.129914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.129914 (E_RNA)
where:
Base-Base interactions energy: -205.886
where: short stacking energy: -92.787
Base-Backbone interact. energy: -1.451
local terms energy: -109.793310
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -258.869370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.869370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.869370 (E_RNA)
where:
Base-Base interactions energy: -153.294
where: short stacking energy: -94.314
Base-Backbone interact. energy: -0.411
local terms energy: -105.164275
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -27.025
flat angles P-C4'-P energy: -16.771
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: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -270.819279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.819279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.819279 (E_RNA)
where:
Base-Base interactions energy: -165.661
where: short stacking energy: -83.452
Base-Backbone interact. energy: -0.100
local terms energy: -105.058296
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -22.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -267.516279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.516279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.516279 (E_RNA)
where:
Base-Base interactions energy: -163.460
where: short stacking energy: -85.756
Base-Backbone interact. energy: -0.578
local terms energy: -103.478687
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -25.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -220.157898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.157898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157898 (E_RNA)
where:
Base-Base interactions energy: -126.775
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.303
local terms energy: -93.080119
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -18.864
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: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -216.425856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.425856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.425856 (E_RNA)
where:
Base-Base interactions energy: -126.308
where: short stacking energy: -58.977
Base-Backbone interact. energy: -1.758
local terms energy: -88.360191
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -111.125841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.125841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.125841 (E_RNA)
where:
Base-Base interactions energy: -34.028
where: short stacking energy: -23.393
Base-Backbone interact. energy: -0.625
local terms energy: -76.473158
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -372.113486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.113486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.113486 (E_RNA)
where:
Base-Base interactions energy: -245.978
where: short stacking energy: -119.121
Base-Backbone interact. energy: -0.220
local terms energy: -125.915036
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -15.888
tors. eta vs tors. theta energy: -32.710
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: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -356.614293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.614293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.614293 (E_RNA)
where:
Base-Base interactions energy: -234.590
where: short stacking energy: -102.638
Base-Backbone interact. energy: -0.121
local terms energy: -121.903307
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -28.408
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -309.988687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.988687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.988687 (E_RNA)
where:
Base-Base interactions energy: -190.876
where: short stacking energy: -91.759
Base-Backbone interact. energy: -0.144
local terms energy: -118.968079
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -28.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -303.396534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.396534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.396534 (E_RNA)
where:
Base-Base interactions energy: -195.056
where: short stacking energy: -77.701
Base-Backbone interact. energy: -0.696
local terms energy: -107.644379
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -21.678
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: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -266.283522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.283522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.283522 (E_RNA)
where:
Base-Base interactions energy: -155.977
where: short stacking energy: -94.738
Base-Backbone interact. energy: -0.021
local terms energy: -110.285591
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -28.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -273.871968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.871968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.871968 (E_RNA)
where:
Base-Base interactions energy: -170.960
where: short stacking energy: -84.008
Base-Backbone interact. energy: -0.013
local terms energy: -102.899031
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -25.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -246.723163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.723163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.723163 (E_RNA)
where:
Base-Base interactions energy: -155.512
where: short stacking energy: -78.515
Base-Backbone interact. energy: -0.103
local terms energy: -91.107787
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -16.126
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: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -233.032620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.032620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.032620 (E_RNA)
where:
Base-Base interactions energy: -145.101
where: short stacking energy: -60.573
Base-Backbone interact. energy: -0.129
local terms energy: -87.802419
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -197.883268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.883268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.883268 (E_RNA)
where:
Base-Base interactions energy: -117.162
where: short stacking energy: -54.537
Base-Backbone interact. energy: -0.259
local terms energy: -80.462508
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -14.443
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: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -110.747958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.747958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.747958 (E_RNA)
where:
Base-Base interactions energy: -43.279
where: short stacking energy: -43.279
Base-Backbone interact. energy: 1.193
local terms energy: -68.662052
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -11.206
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: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -374.781086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.781086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.781086 (E_RNA)
where:
Base-Base interactions energy: -245.113
where: short stacking energy: -100.204
Base-Backbone interact. energy: -0.004
local terms energy: -129.663643
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -27.537
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -34.439
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: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -361.616900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.616900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.616900 (E_RNA)
where:
Base-Base interactions energy: -242.084
where: short stacking energy: -102.504
Base-Backbone interact. energy: 0.184
local terms energy: -119.716990
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -25.389
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -327.193474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.193474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.193474 (E_RNA)
where:
Base-Base interactions energy: -223.884
where: short stacking energy: -97.742
Base-Backbone interact. energy: 0.110
local terms energy: -103.419022
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -24.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -290.722129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.722129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.722129 (E_RNA)
where:
Base-Base interactions energy: -185.041
where: short stacking energy: -92.980
Base-Backbone interact. energy: -0.053
local terms energy: -105.628781
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -25.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -246.419367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.419367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.419367 (E_RNA)
where:
Base-Base interactions energy: -151.660
where: short stacking energy: -73.337
Base-Backbone interact. energy: 0.641
local terms energy: -95.400108
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -12.552
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: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -230.221585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.221585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.221585 (E_RNA)
where:
Base-Base interactions energy: -142.101
where: short stacking energy: -62.355
Base-Backbone interact. energy: -0.401
local terms energy: -87.719527
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -238.857350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.857350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.857350 (E_RNA)
where:
Base-Base interactions energy: -144.102
where: short stacking energy: -61.603
Base-Backbone interact. energy: 1.798
local terms energy: -96.552667
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -17.692
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: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -223.866910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.866910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.866910 (E_RNA)
where:
Base-Base interactions energy: -147.682
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.234
local terms energy: -75.950977
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -1.847
tors. eta vs tors. theta energy: -13.188
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: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -206.958163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.958163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.958163 (E_RNA)
where:
Base-Base interactions energy: -127.909
where: short stacking energy: -67.138
Base-Backbone interact. energy: 1.913
local terms energy: -80.962620
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -13.773
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: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -106.528980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.528980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.528980 (E_RNA)
where:
Base-Base interactions energy: -26.155
where: short stacking energy: -27.255
Base-Backbone interact. energy: 0.134
local terms energy: -80.507892
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -7.060
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: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -358.805793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.805793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.805793 (E_RNA)
where:
Base-Base interactions energy: -235.104
where: short stacking energy: -109.030
Base-Backbone interact. energy: -0.276
local terms energy: -123.425604
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -34.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -360.234658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.234658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.234658 (E_RNA)
where:
Base-Base interactions energy: -231.039
where: short stacking energy: -108.810
Base-Backbone interact. energy: -0.031
local terms energy: -129.164103
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -26.623
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: -33.884
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: 335
Temperature: 1.000000
Total energy: -307.546730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.546730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.546730 (E_RNA)
where:
Base-Base interactions energy: -198.379
where: short stacking energy: -92.638
Base-Backbone interact. energy: -0.958
local terms energy: -108.209516
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -283.962830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.962830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.962830 (E_RNA)
where:
Base-Base interactions energy: -174.485
where: short stacking energy: -90.944
Base-Backbone interact. energy: -0.102
local terms energy: -109.375166
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -263.820143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.820143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.820143 (E_RNA)
where:
Base-Base interactions energy: -167.861
where: short stacking energy: -88.606
Base-Backbone interact. energy: -0.788
local terms energy: -95.170770
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -18.316
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: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -260.143137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.143137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.143137 (E_RNA)
where:
Base-Base interactions energy: -154.759
where: short stacking energy: -84.833
Base-Backbone interact. energy: -0.168
local terms energy: -105.216460
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -16.454
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: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -256.630206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.630206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.630206 (E_RNA)
where:
Base-Base interactions energy: -162.716
where: short stacking energy: -77.087
Base-Backbone interact. energy: -0.545
local terms energy: -93.369101
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -14.607
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: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -241.042545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.042545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.042545 (E_RNA)
where:
Base-Base interactions energy: -151.469
where: short stacking energy: -69.983
Base-Backbone interact. energy: 0.137
local terms energy: -89.709780
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -7.081
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: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -199.443019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.443019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.443019 (E_RNA)
where:
Base-Base interactions energy: -116.316
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.591
local terms energy: -82.536289
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -12.443
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: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -124.107839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.107839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.107839 (E_RNA)
where:
Base-Base interactions energy: -45.491
where: short stacking energy: -31.503
Base-Backbone interact. energy: -0.464
local terms energy: -78.152772
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -367.360217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.360217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.360217 (E_RNA)
where:
Base-Base interactions energy: -252.546
where: short stacking energy: -116.911
Base-Backbone interact. energy: -0.059
local terms energy: -114.755415
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -360.022356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.022356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.022356 (E_RNA)
where:
Base-Base interactions energy: -234.453
where: short stacking energy: -104.585
Base-Backbone interact. energy: -0.957
local terms energy: -124.612294
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -35.167
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: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -304.331723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.331723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.331723 (E_RNA)
where:
Base-Base interactions energy: -188.060
where: short stacking energy: -98.606
Base-Backbone interact. energy: -0.223
local terms energy: -116.048552
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -29.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -298.705371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.705371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.705371 (E_RNA)
where:
Base-Base interactions energy: -190.548
where: short stacking energy: -94.157
Base-Backbone interact. energy: -0.122
local terms energy: -108.035100
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -26.019
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: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -257.171929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.171929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.171929 (E_RNA)
where:
Base-Base interactions energy: -159.656
where: short stacking energy: -76.816
Base-Backbone interact. energy: -0.296
local terms energy: -97.220109
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -245.983458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.983458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.983458 (E_RNA)
where:
Base-Base interactions energy: -145.324
where: short stacking energy: -73.005
Base-Backbone interact. energy: 1.364
local terms energy: -102.022567
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -19.151
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: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -262.161554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.161554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.161554 (E_RNA)
where:
Base-Base interactions energy: -165.615
where: short stacking energy: -78.630
Base-Backbone interact. energy: -0.382
local terms energy: -96.165114
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -10.942
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: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -210.729079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.729079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.729079 (E_RNA)
where:
Base-Base interactions energy: -123.469
where: short stacking energy: -55.282
Base-Backbone interact. energy: -0.126
local terms energy: -87.133751
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -214.534352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.534352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.534352 (E_RNA)
where:
Base-Base interactions energy: -142.313
where: short stacking energy: -71.655
Base-Backbone interact. energy: 0.288
local terms energy: -72.508882
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -120.628495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.628495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.628495 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.360
local terms energy: -84.589228
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -10.940
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: 337
Temperature: 0.900000
Total energy: -353.919482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.919482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.919482 (E_RNA)
where:
Base-Base interactions energy: -239.957
where: short stacking energy: -116.865
Base-Backbone interact. energy: -0.716
local terms energy: -113.246691
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -25.871
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -30.603
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: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -354.681972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.681972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.681972 (E_RNA)
where:
Base-Base interactions energy: -231.105
where: short stacking energy: -108.184
Base-Backbone interact. energy: -0.605
local terms energy: -122.972277
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -33.474
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: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -302.025737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.025737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.025737 (E_RNA)
where:
Base-Base interactions energy: -199.493
where: short stacking energy: -99.098
Base-Backbone interact. energy: -0.206
local terms energy: -102.326798
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -26.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -295.723981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.723981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.723981 (E_RNA)
where:
Base-Base interactions energy: -188.636
where: short stacking energy: -83.492
Base-Backbone interact. energy: -0.174
local terms energy: -106.913862
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -26.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -273.318569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.318569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.318569 (E_RNA)
where:
Base-Base interactions energy: -165.797
where: short stacking energy: -85.708
Base-Backbone interact. energy: -0.724
local terms energy: -106.797081
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -24.779
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -17.554
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: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -250.283835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.283835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.283835 (E_RNA)
where:
Base-Base interactions energy: -150.050
where: short stacking energy: -77.109
Base-Backbone interact. energy: -0.010
local terms energy: -100.223613
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -22.447
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: 337
Temperature: 1.200000
Total energy: -272.862237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.862237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.862237 (E_RNA)
where:
Base-Base interactions energy: -184.695
where: short stacking energy: -78.330
Base-Backbone interact. energy: -0.037
local terms energy: -88.129534
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -24.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -222.119723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.119723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.119723 (E_RNA)
where:
Base-Base interactions energy: -135.059
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.147
local terms energy: -86.914015
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -201.366068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.366068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.366068 (E_RNA)
where:
Base-Base interactions energy: -127.229
where: short stacking energy: -63.399
Base-Backbone interact. energy: 2.471
local terms energy: -76.607731
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -111.131504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.131504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.131504 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -34.306
Base-Backbone interact. energy: 1.241
local terms energy: -78.067218
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -12.566
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: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -368.460200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.460200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.460200 (E_RNA)
where:
Base-Base interactions energy: -242.387
where: short stacking energy: -108.889
Base-Backbone interact. energy: 0.217
local terms energy: -126.290846
where:
bonds (distance) C4'-P energy: -28.203
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -31.381
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: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -364.236591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.236591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.236591 (E_RNA)
where:
Base-Base interactions energy: -251.098
where: short stacking energy: -117.985
Base-Backbone interact. energy: -0.105
local terms energy: -113.033877
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -24.541
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -33.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -305.360305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.360305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.360305 (E_RNA)
where:
Base-Base interactions energy: -193.972
where: short stacking energy: -91.538
Base-Backbone interact. energy: -0.192
local terms energy: -111.196799
where:
bonds (distance) C4'-P energy: -22.700
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -25.621
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: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -304.741483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.741483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.741483 (E_RNA)
where:
Base-Base interactions energy: -188.645
where: short stacking energy: -95.238
Base-Backbone interact. energy: -0.094
local terms energy: -116.002328
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -26.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -259.948693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.948693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.948693 (E_RNA)
where:
Base-Base interactions energy: -158.359
where: short stacking energy: -75.316
Base-Backbone interact. energy: -0.457
local terms energy: -101.132701
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -236.109821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.109821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.109821 (E_RNA)
where:
Base-Base interactions energy: -146.556
where: short stacking energy: -74.651
Base-Backbone interact. energy: -0.457
local terms energy: -89.096793
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -281.560990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.560990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.560990 (E_RNA)
where:
Base-Base interactions energy: -181.275
where: short stacking energy: -81.397
Base-Backbone interact. energy: -0.263
local terms energy: -100.022863
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -23.795
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -213.174211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174211 (E_RNA)
where:
Base-Base interactions energy: -125.503
where: short stacking energy: -68.376
Base-Backbone interact. energy: -0.110
local terms energy: -87.561391
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -173.014591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.014591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.014591 (E_RNA)
where:
Base-Base interactions energy: -93.622
where: short stacking energy: -40.914
Base-Backbone interact. energy: 1.116
local terms energy: -80.507923
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -115.284192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.284192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.284192 (E_RNA)
where:
Base-Base interactions energy: -45.105
where: short stacking energy: -37.105
Base-Backbone interact. energy: 1.597
local terms energy: -71.776338
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: 0.593
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: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -377.069284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.069284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.069284 (E_RNA)
where:
Base-Base interactions energy: -251.725
where: short stacking energy: -115.332
Base-Backbone interact. energy: 1.299
local terms energy: -126.643747
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -35.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -353.738207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.738207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.738207 (E_RNA)
where:
Base-Base interactions energy: -231.557
where: short stacking energy: -108.166
Base-Backbone interact. energy: -0.006
local terms energy: -122.175551
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -30.339
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: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -309.097248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.097248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.097248 (E_RNA)
where:
Base-Base interactions energy: -200.140
where: short stacking energy: -94.930
Base-Backbone interact. energy: 0.434
local terms energy: -109.391291
where:
bonds (distance) C4'-P energy: -25.184
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -28.594
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: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -298.765073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.765073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.765073 (E_RNA)
where:
Base-Base interactions energy: -188.152
where: short stacking energy: -94.037
Base-Backbone interact. energy: 0.352
local terms energy: -110.965294
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -248.275596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.275596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.275596 (E_RNA)
where:
Base-Base interactions energy: -147.032
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.913
local terms energy: -100.329971
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -14.564
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: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -275.967808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.967808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.967808 (E_RNA)
where:
Base-Base interactions energy: -174.288
where: short stacking energy: -76.408
Base-Backbone interact. energy: -0.339
local terms energy: -101.341264
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -23.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -216.451018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.451018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.451018 (E_RNA)
where:
Base-Base interactions energy: -133.238
where: short stacking energy: -61.786
Base-Backbone interact. energy: -0.323
local terms energy: -82.889900
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -7.946
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: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -174.732414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.732414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.732414 (E_RNA)
where:
Base-Base interactions energy: -101.976
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.971
local terms energy: -71.784793
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -10.908
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: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -199.939520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.939520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.939520 (E_RNA)
where:
Base-Base interactions energy: -116.848
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.214
local terms energy: -82.877390
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -6.479
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: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -113.734967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.734967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.734967 (E_RNA)
where:
Base-Base interactions energy: -42.432
where: short stacking energy: -40.930
Base-Backbone interact. energy: 0.039
local terms energy: -71.342362
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -7.403
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: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -359.324742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.324742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.324742 (E_RNA)
where:
Base-Base interactions energy: -248.021
where: short stacking energy: -105.084
Base-Backbone interact. energy: -0.109
local terms energy: -111.194872
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -28.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -356.168157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.168157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.168157 (E_RNA)
where:
Base-Base interactions energy: -243.940
where: short stacking energy: -107.873
Base-Backbone interact. energy: 0.914
local terms energy: -113.141743
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -32.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -315.014990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.014990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.014990 (E_RNA)
where:
Base-Base interactions energy: -204.554
where: short stacking energy: -89.775
Base-Backbone interact. energy: -0.587
local terms energy: -109.873807
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -25.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -297.983789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.983789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.983789 (E_RNA)
where:
Base-Base interactions energy: -185.191
where: short stacking energy: -92.349
Base-Backbone interact. energy: -0.155
local terms energy: -112.637978
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -24.698
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -24.887
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: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -288.861739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.861739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.861739 (E_RNA)
where:
Base-Base interactions energy: -180.476
where: short stacking energy: -85.168
Base-Backbone interact. energy: -0.111
local terms energy: -108.274368
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -28.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -247.737371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.737371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.737371 (E_RNA)
where:
Base-Base interactions energy: -150.058
where: short stacking energy: -82.853
Base-Backbone interact. energy: -0.310
local terms energy: -97.369843
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -234.597547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.597547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.597547 (E_RNA)
where:
Base-Base interactions energy: -145.004
where: short stacking energy: -75.707
Base-Backbone interact. energy: -0.251
local terms energy: -89.342900
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -228.028398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.028398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.028398 (E_RNA)
where:
Base-Base interactions energy: -144.739
where: short stacking energy: -75.024
Base-Backbone interact. energy: -0.471
local terms energy: -82.817869
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -179.643396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.643396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.643396 (E_RNA)
where:
Base-Base interactions energy: -107.149
where: short stacking energy: -47.942
Base-Backbone interact. energy: 4.091
local terms energy: -76.586076
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -121.842630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.842630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.842630 (E_RNA)
where:
Base-Base interactions energy: -48.940
where: short stacking energy: -38.624
Base-Backbone interact. energy: -0.166
local terms energy: -72.736870
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -358.589938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.589938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.589938 (E_RNA)
where:
Base-Base interactions energy: -243.580
where: short stacking energy: -99.497
Base-Backbone interact. energy: -0.401
local terms energy: -114.609732
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -32.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -356.887677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.887677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.887677 (E_RNA)
where:
Base-Base interactions energy: -238.468
where: short stacking energy: -111.784
Base-Backbone interact. energy: -0.182
local terms energy: -118.237529
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -326.399157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.399157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.399157 (E_RNA)
where:
Base-Base interactions energy: -219.142
where: short stacking energy: -100.930
Base-Backbone interact. energy: -0.396
local terms energy: -106.861374
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -28.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -293.952579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.952579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.952579 (E_RNA)
where:
Base-Base interactions energy: -190.649
where: short stacking energy: -92.438
Base-Backbone interact. energy: -0.206
local terms energy: -103.097317
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -282.440790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.440790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.440790 (E_RNA)
where:
Base-Base interactions energy: -192.766
where: short stacking energy: -94.461
Base-Backbone interact. energy: -0.172
local terms energy: -89.502427
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -233.124393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.124393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.124393 (E_RNA)
where:
Base-Base interactions energy: -144.260
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.142
local terms energy: -88.721598
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -18.858
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: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -229.142997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.142997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.142997 (E_RNA)
where:
Base-Base interactions energy: -144.633
where: short stacking energy: -69.256
Base-Backbone interact. energy: -0.782
local terms energy: -83.728234
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -23.347
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -12.516
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: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -226.116377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.116377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.116377 (E_RNA)
where:
Base-Base interactions energy: -144.139
where: short stacking energy: -71.112
Base-Backbone interact. energy: -0.061
local terms energy: -81.916811
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -9.667
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: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -120.030829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.030829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.030829 (E_RNA)
where:
Base-Base interactions energy: -68.200
where: short stacking energy: -34.656
Base-Backbone interact. energy: -0.320
local terms energy: -51.509928
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: 6.003
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: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -106.458795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.458795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.458795 (E_RNA)
where:
Base-Base interactions energy: -38.710
where: short stacking energy: -28.802
Base-Backbone interact. energy: -1.599
local terms energy: -66.150287
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -16.495
tors. eta vs tors. theta energy: 3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -359.924966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.924966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.924966 (E_RNA)
where:
Base-Base interactions energy: -243.329
where: short stacking energy: -109.609
Base-Backbone interact. energy: -0.045
local terms energy: -116.550901
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -34.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -358.987938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.987938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.987938 (E_RNA)
where:
Base-Base interactions energy: -240.814
where: short stacking energy: -110.425
Base-Backbone interact. energy: -0.208
local terms energy: -117.966045
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -35.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -309.013672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.013672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.013672 (E_RNA)
where:
Base-Base interactions energy: -197.867
where: short stacking energy: -94.502
Base-Backbone interact. energy: -0.099
local terms energy: -111.047416
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -308.295916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.295916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.295916 (E_RNA)
where:
Base-Base interactions energy: -192.969
where: short stacking energy: -91.588
Base-Backbone interact. energy: -0.760
local terms energy: -114.567018
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -25.562
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -248.699074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.699074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.699074 (E_RNA)
where:
Base-Base interactions energy: -148.495
where: short stacking energy: -67.840
Base-Backbone interact. energy: 0.335
local terms energy: -100.538387
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -273.559341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.559341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.559341 (E_RNA)
where:
Base-Base interactions energy: -176.328
where: short stacking energy: -79.767
Base-Backbone interact. energy: -0.088
local terms energy: -97.144128
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -225.300490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.300490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.300490 (E_RNA)
where:
Base-Base interactions energy: -130.341
where: short stacking energy: -64.974
Base-Backbone interact. energy: -0.662
local terms energy: -94.297570
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -12.048
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: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -230.464484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.464484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.464484 (E_RNA)
where:
Base-Base interactions energy: -143.735
where: short stacking energy: -69.088
Base-Backbone interact. energy: 0.462
local terms energy: -87.192016
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -13.414
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: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -117.448786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.448786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.448786 (E_RNA)
where:
Base-Base interactions energy: -41.839
where: short stacking energy: -30.997
Base-Backbone interact. energy: 0.448
local terms energy: -76.057918
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -112.692604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.692604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.692604 (E_RNA)
where:
Base-Base interactions energy: -52.077
where: short stacking energy: -38.480
Base-Backbone interact. energy: -0.362
local terms energy: -60.253753
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: 4.308
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: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -362.426647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.426647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.426647 (E_RNA)
where:
Base-Base interactions energy: -239.681
where: short stacking energy: -106.684
Base-Backbone interact. energy: -0.008
local terms energy: -122.738140
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -33.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -320.600533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.600533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.600533 (E_RNA)
where:
Base-Base interactions energy: -203.032
where: short stacking energy: -99.261
Base-Backbone interact. energy: -0.385
local terms energy: -117.183735
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -29.718
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: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -341.072424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.072424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.072424 (E_RNA)
where:
Base-Base interactions energy: -222.762
where: short stacking energy: -94.043
Base-Backbone interact. energy: -0.852
local terms energy: -117.458045
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -29.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -304.841395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.841395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.841395 (E_RNA)
where:
Base-Base interactions energy: -194.508
where: short stacking energy: -92.628
Base-Backbone interact. energy: -0.169
local terms energy: -110.163786
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -239.407291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.407291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.407291 (E_RNA)
where:
Base-Base interactions energy: -148.830
where: short stacking energy: -72.835
Base-Backbone interact. energy: 0.490
local terms energy: -91.066679
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -16.157
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: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -265.100480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.100480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.100480 (E_RNA)
where:
Base-Base interactions energy: -162.430
where: short stacking energy: -93.192
Base-Backbone interact. energy: -0.049
local terms energy: -102.621478
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -26.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -196.195113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.195113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.195113 (E_RNA)
where:
Base-Base interactions energy: -105.472
where: short stacking energy: -53.587
Base-Backbone interact. energy: -0.191
local terms energy: -90.531615
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -224.247791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.247791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.247791 (E_RNA)
where:
Base-Base interactions energy: -134.602
where: short stacking energy: -63.998
Base-Backbone interact. energy: -0.250
local terms energy: -89.395855
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -12.869
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: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -107.393994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.393994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.393994 (E_RNA)
where:
Base-Base interactions energy: -43.223
where: short stacking energy: -35.594
Base-Backbone interact. energy: 1.983
local terms energy: -66.154021
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -112.212921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.212921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.212921 (E_RNA)
where:
Base-Base interactions energy: -41.328
where: short stacking energy: -40.245
Base-Backbone interact. energy: -0.058
local terms energy: -70.827325
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -8.285
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: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -374.440640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.440640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.440640 (E_RNA)
where:
Base-Base interactions energy: -247.792
where: short stacking energy: -114.802
Base-Backbone interact. energy: -0.209
local terms energy: -126.439608
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -36.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -313.989393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.989393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.989393 (E_RNA)
where:
Base-Base interactions energy: -205.597
where: short stacking energy: -100.091
Base-Backbone interact. energy: -0.093
local terms energy: -108.299360
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -352.102830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.102830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.102830 (E_RNA)
where:
Base-Base interactions energy: -234.708
where: short stacking energy: -106.282
Base-Backbone interact. energy: 0.999
local terms energy: -118.393125
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -33.385
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: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -315.964204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.964204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.964204 (E_RNA)
where:
Base-Base interactions energy: -206.193
where: short stacking energy: -97.480
Base-Backbone interact. energy: -0.492
local terms energy: -109.279098
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -30.577
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: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -297.355511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.355511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.355511 (E_RNA)
where:
Base-Base interactions energy: -194.898
where: short stacking energy: -97.841
Base-Backbone interact. energy: -0.229
local terms energy: -102.228223
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -234.831036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.831036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.831036 (E_RNA)
where:
Base-Base interactions energy: -151.251
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.167
local terms energy: -83.413792
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -243.010466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.010466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.010466 (E_RNA)
where:
Base-Base interactions energy: -141.581
where: short stacking energy: -72.747
Base-Backbone interact. energy: 0.026
local terms energy: -101.455536
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -18.262
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: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -237.899931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.899931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.899931 (E_RNA)
where:
Base-Base interactions energy: -140.281
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.587
local terms energy: -97.032441
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -116.864841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.864841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.864841 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -32.943
Base-Backbone interact. energy: -0.340
local terms energy: -80.110663
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -24.704
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -3.742
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: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -132.710422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.710422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.710422 (E_RNA)
where:
Base-Base interactions energy: -50.667
where: short stacking energy: -32.830
Base-Backbone interact. energy: -1.018
local terms energy: -81.024989
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -2.655
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: 1, replica: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -369.615448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.615448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.615448 (E_RNA)
where:
Base-Base interactions energy: -235.992
where: short stacking energy: -107.506
Base-Backbone interact. energy: -1.126
local terms energy: -132.497640
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -28.475
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -37.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -348.128901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.128901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.128901 (E_RNA)
where:
Base-Base interactions energy: -240.110
where: short stacking energy: -102.959
Base-Backbone interact. energy: 1.160
local terms energy: -109.179718
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -27.409
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -28.259
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: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -312.145341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.145341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.145341 (E_RNA)
where:
Base-Base interactions energy: -195.434
where: short stacking energy: -102.103
Base-Backbone interact. energy: -0.012
local terms energy: -116.699395
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -26.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -305.507651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.507651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.507651 (E_RNA)
where:
Base-Base interactions energy: -197.834
where: short stacking energy: -92.886
Base-Backbone interact. energy: -0.066
local terms energy: -107.608325
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -25.235
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -28.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -298.635285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.635285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.635285 (E_RNA)
where:
Base-Base interactions energy: -202.453
where: short stacking energy: -87.377
Base-Backbone interact. energy: 1.011
local terms energy: -97.192791
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -246.713419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.713419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.713419 (E_RNA)
where:
Base-Base interactions energy: -146.443
where: short stacking energy: -64.809
Base-Backbone interact. energy: -0.529
local terms energy: -99.740780
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -14.432
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: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -241.360190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.360190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.360190 (E_RNA)
where:
Base-Base interactions energy: -145.762
where: short stacking energy: -69.312
Base-Backbone interact. energy: -1.491
local terms energy: -94.107914
where:
bonds (distance) C4'-P energy: -21.198
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -206.106512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.106512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.106512 (E_RNA)
where:
Base-Base interactions energy: -127.448
where: short stacking energy: -60.760
Base-Backbone interact. energy: -2.078
local terms energy: -76.579976
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -106.298039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.298039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.298039 (E_RNA)
where:
Base-Base interactions energy: -34.235
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.093
local terms energy: -71.969854
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -115.071322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.071322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.071322 (E_RNA)
where:
Base-Base interactions energy: -35.744
where: short stacking energy: -31.867
Base-Backbone interact. energy: 1.776
local terms energy: -81.104056
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -367.410861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.410861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.410861 (E_RNA)
where:
Base-Base interactions energy: -245.600
where: short stacking energy: -111.299
Base-Backbone interact. energy: -0.103
local terms energy: -121.707511
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -30.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -350.923388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.923388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.923388 (E_RNA)
where:
Base-Base interactions energy: -242.690
where: short stacking energy: -104.854
Base-Backbone interact. energy: -0.215
local terms energy: -108.017927
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -26.033
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -30.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -313.673543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.673543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.673543 (E_RNA)
where:
Base-Base interactions energy: -194.186
where: short stacking energy: -95.097
Base-Backbone interact. energy: -0.266
local terms energy: -119.221323
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -27.804
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -29.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -291.880492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.880492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.880492 (E_RNA)
where:
Base-Base interactions energy: -186.019
where: short stacking energy: -98.806
Base-Backbone interact. energy: 0.991
local terms energy: -106.851815
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -22.829
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: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -256.558910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.558910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.558910 (E_RNA)
where:
Base-Base interactions energy: -159.226
where: short stacking energy: -79.170
Base-Backbone interact. energy: -0.541
local terms energy: -96.791698
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -21.564
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: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -284.005363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.005363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.005363 (E_RNA)
where:
Base-Base interactions energy: -186.419
where: short stacking energy: -88.692
Base-Backbone interact. energy: -1.124
local terms energy: -96.462951
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -25.186
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: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -241.500256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.500256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.500256 (E_RNA)
where:
Base-Base interactions energy: -152.228
where: short stacking energy: -67.588
Base-Backbone interact. energy: -1.197
local terms energy: -88.075506
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -21.587
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: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -236.042522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.042522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.042522 (E_RNA)
where:
Base-Base interactions energy: -146.170
where: short stacking energy: -80.036
Base-Backbone interact. energy: 2.559
local terms energy: -92.431674
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -109.069692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.069692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.069692 (E_RNA)
where:
Base-Base interactions energy: -45.034
where: short stacking energy: -38.490
Base-Backbone interact. energy: -0.547
local terms energy: -63.488347
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.238
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: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -101.412457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.412457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.412457 (E_RNA)
where:
Base-Base interactions energy: -31.942
where: short stacking energy: -25.348
Base-Backbone interact. energy: -1.089
local terms energy: -68.381493
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: 7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -363.249102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.249102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.249102 (E_RNA)
where:
Base-Base interactions energy: -243.258
where: short stacking energy: -116.956
Base-Backbone interact. energy: -0.135
local terms energy: -119.856153
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -33.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -364.871199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.871199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.871199 (E_RNA)
where:
Base-Base interactions energy: -235.501
where: short stacking energy: -105.713
Base-Backbone interact. energy: -1.263
local terms energy: -128.107631
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -313.275974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.275974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.275974 (E_RNA)
where:
Base-Base interactions energy: -195.667
where: short stacking energy: -96.980
Base-Backbone interact. energy: 0.199
local terms energy: -117.808828
where:
bonds (distance) C4'-P energy: -24.220
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -25.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -293.156578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.156578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.156578 (E_RNA)
where:
Base-Base interactions energy: -196.498
where: short stacking energy: -92.722
Base-Backbone interact. energy: -0.212
local terms energy: -96.445799
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -241.121322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.121322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.121322 (E_RNA)
where:
Base-Base interactions energy: -159.527
where: short stacking energy: -74.419
Base-Backbone interact. energy: 0.700
local terms energy: -82.294964
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -15.823
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: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -273.700394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.700394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.700394 (E_RNA)
where:
Base-Base interactions energy: -170.697
where: short stacking energy: -82.668
Base-Backbone interact. energy: 0.173
local terms energy: -103.175614
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -17.606
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: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -294.075245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.075245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.075245 (E_RNA)
where:
Base-Base interactions energy: -190.653
where: short stacking energy: -93.351
Base-Backbone interact. energy: -0.186
local terms energy: -103.235763
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -24.175
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -26.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -215.754988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.754988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.754988 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -60.866
Base-Backbone interact. energy: -0.052
local terms energy: -83.985507
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -13.970
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: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -120.094385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.094385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.094385 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -36.717
Base-Backbone interact. energy: 0.961
local terms energy: -82.456811
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.710
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: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -103.043624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.043624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.043624 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -36.442
Base-Backbone interact. energy: -0.846
local terms energy: -65.545973
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: 3.209
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: 348
Temperature: 0.900000
Total energy: -375.864067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.864067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.864067 (E_RNA)
where:
Base-Base interactions energy: -253.950
where: short stacking energy: -119.422
Base-Backbone interact. energy: 0.200
local terms energy: -122.114489
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -28.418
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -33.026
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: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -344.202797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.202797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.202797 (E_RNA)
where:
Base-Base interactions energy: -233.125
where: short stacking energy: -90.407
Base-Backbone interact. energy: -0.123
local terms energy: -110.954834
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -24.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -305.970143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.970143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.970143 (E_RNA)
where:
Base-Base interactions energy: -199.812
where: short stacking energy: -94.264
Base-Backbone interact. energy: -0.004
local terms energy: -106.153798
where:
bonds (distance) C4'-P energy: -25.073
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -24.252
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: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -309.892832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.892832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.892832 (E_RNA)
where:
Base-Base interactions energy: -193.824
where: short stacking energy: -95.327
Base-Backbone interact. energy: -0.035
local terms energy: -116.033829
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -25.985
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -25.448
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: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -299.498607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.498607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.498607 (E_RNA)
where:
Base-Base interactions energy: -188.954
where: short stacking energy: -83.306
Base-Backbone interact. energy: -0.139
local terms energy: -110.405698
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -25.024
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -29.222
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -245.935592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.935592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.935592 (E_RNA)
where:
Base-Base interactions energy: -157.727
where: short stacking energy: -70.568
Base-Backbone interact. energy: -0.254
local terms energy: -87.953807
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -17.781
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: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -259.597792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.597792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.597792 (E_RNA)
where:
Base-Base interactions energy: -161.075
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.106
local terms energy: -98.416469
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -23.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -212.107887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.107887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.107887 (E_RNA)
where:
Base-Base interactions energy: -120.286
where: short stacking energy: -62.400
Base-Backbone interact. energy: -0.039
local terms energy: -91.783211
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -105.537864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.537864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.537864 (E_RNA)
where:
Base-Base interactions energy: -41.424
where: short stacking energy: -34.056
Base-Backbone interact. energy: -0.524
local terms energy: -63.590275
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -9.559
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: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -108.543134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.543134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.543134 (E_RNA)
where:
Base-Base interactions energy: -46.444
where: short stacking energy: -36.739
Base-Backbone interact. energy: 0.953
local terms energy: -63.052145
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -6.921
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -370.398647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.398647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.398647 (E_RNA)
where:
Base-Base interactions energy: -246.629
where: short stacking energy: -112.115
Base-Backbone interact. energy: 0.157
local terms energy: -123.927309
where:
bonds (distance) C4'-P energy: -26.695
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -34.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -352.402946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.402946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.402946 (E_RNA)
where:
Base-Base interactions energy: -227.864
where: short stacking energy: -105.819
Base-Backbone interact. energy: 0.521
local terms energy: -125.059613
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -31.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -323.911441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.911441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.911441 (E_RNA)
where:
Base-Base interactions energy: -199.385
where: short stacking energy: -104.653
Base-Backbone interact. energy: -0.008
local terms energy: -124.519230
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -34.325
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: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -310.896999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.896999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.896999 (E_RNA)
where:
Base-Base interactions energy: -187.152
where: short stacking energy: -85.292
Base-Backbone interact. energy: -0.151
local terms energy: -123.594107
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -31.442
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: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -272.067575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.067575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.067575 (E_RNA)
where:
Base-Base interactions energy: -168.189
where: short stacking energy: -80.637
Base-Backbone interact. energy: 1.315
local terms energy: -105.193209
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -23.166
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: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -277.544381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.544381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.544381 (E_RNA)
where:
Base-Base interactions energy: -176.904
where: short stacking energy: -77.422
Base-Backbone interact. energy: -0.937
local terms energy: -99.703495
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -222.927219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.927219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.927219 (E_RNA)
where:
Base-Base interactions energy: -136.840
where: short stacking energy: -68.946
Base-Backbone interact. energy: 1.279
local terms energy: -87.366117
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -236.839367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.839367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.839367 (E_RNA)
where:
Base-Base interactions energy: -149.434
where: short stacking energy: -71.611
Base-Backbone interact. energy: -0.215
local terms energy: -87.190309
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -12.417
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: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -130.770639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.770639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.770639 (E_RNA)
where:
Base-Base interactions energy: -54.087
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.495
local terms energy: -76.189433
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -103.218496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.218496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.218496 (E_RNA)
where:
Base-Base interactions energy: -39.378
where: short stacking energy: -27.719
Base-Backbone interact. energy: -0.233
local terms energy: -63.607165
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: 0.567
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: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -360.325922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.325922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.325922 (E_RNA)
where:
Base-Base interactions energy: -241.751
where: short stacking energy: -103.721
Base-Backbone interact. energy: -0.430
local terms energy: -118.145658
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -34.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -358.357791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.357791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.357791 (E_RNA)
where:
Base-Base interactions energy: -227.510
where: short stacking energy: -97.832
Base-Backbone interact. energy: -0.090
local terms energy: -130.757311
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -31.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -309.240307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.240307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.240307 (E_RNA)
where:
Base-Base interactions energy: -193.233
where: short stacking energy: -100.094
Base-Backbone interact. energy: -0.109
local terms energy: -115.898188
where:
bonds (distance) C4'-P energy: -23.710
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -31.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -294.594131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.594131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.594131 (E_RNA)
where:
Base-Base interactions energy: -180.576
where: short stacking energy: -91.474
Base-Backbone interact. energy: -0.117
local terms energy: -113.901257
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -282.492115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.492115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.492115 (E_RNA)
where:
Base-Base interactions energy: -179.037
where: short stacking energy: -87.797
Base-Backbone interact. energy: -0.399
local terms energy: -103.055512
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -271.155388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.155388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.155388 (E_RNA)
where:
Base-Base interactions energy: -181.338
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.769
local terms energy: -89.048675
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -249.486608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.486608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.486608 (E_RNA)
where:
Base-Base interactions energy: -149.230
where: short stacking energy: -80.531
Base-Backbone interact. energy: -0.227
local terms energy: -100.029345
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -229.930597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.930597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.930597 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -76.131
Base-Backbone interact. energy: -0.845
local terms energy: -87.012716
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -128.197610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.197610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.197610 (E_RNA)
where:
Base-Base interactions energy: -54.555
where: short stacking energy: -47.127
Base-Backbone interact. energy: -0.207
local terms energy: -73.435606
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -12.911
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: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -122.614897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.614897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.614897 (E_RNA)
where:
Base-Base interactions energy: -57.219
where: short stacking energy: -50.607
Base-Backbone interact. energy: 1.977
local terms energy: -67.373091
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -352.148663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.148663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.148663 (E_RNA)
where:
Base-Base interactions energy: -235.994
where: short stacking energy: -98.311
Base-Backbone interact. energy: -0.309
local terms energy: -115.845949
where:
bonds (distance) C4'-P energy: -21.800
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -27.742
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: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -355.743848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.743848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.743848 (E_RNA)
where:
Base-Base interactions energy: -235.341
where: short stacking energy: -104.888
Base-Backbone interact. energy: -0.005
local terms energy: -120.397483
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -31.042
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: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -311.376921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.376921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.376921 (E_RNA)
where:
Base-Base interactions energy: -207.183
where: short stacking energy: -99.084
Base-Backbone interact. energy: -0.249
local terms energy: -103.945011
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -29.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -286.014404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.014404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.014404 (E_RNA)
where:
Base-Base interactions energy: -183.345
where: short stacking energy: -97.913
Base-Backbone interact. energy: -0.026
local terms energy: -102.643590
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -27.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -297.684046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.684046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.684046 (E_RNA)
where:
Base-Base interactions energy: -194.654
where: short stacking energy: -93.156
Base-Backbone interact. energy: -0.422
local terms energy: -102.607580
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -24.462
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -13.464
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: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -285.624864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.624864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.624864 (E_RNA)
where:
Base-Base interactions energy: -174.686
where: short stacking energy: -96.955
Base-Backbone interact. energy: -1.425
local terms energy: -109.513846
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -30.238
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: 351
Temperature: 1.200000
Total energy: -249.375512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.375512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.375512 (E_RNA)
where:
Base-Base interactions energy: -158.063
where: short stacking energy: -84.252
Base-Backbone interact. energy: 0.665
local terms energy: -91.977635
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -13.189
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: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -168.002191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.002191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.002191 (E_RNA)
where:
Base-Base interactions energy: -97.611
where: short stacking energy: -52.024
Base-Backbone interact. energy: -0.465
local terms energy: -69.926035
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -7.961
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: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -209.236680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.236680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.236680 (E_RNA)
where:
Base-Base interactions energy: -122.296
where: short stacking energy: -51.565
Base-Backbone interact. energy: -0.273
local terms energy: -86.668179
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -108.355269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.355269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.355269 (E_RNA)
where:
Base-Base interactions energy: -28.797
where: short stacking energy: -27.030
Base-Backbone interact. energy: -0.135
local terms energy: -79.423168
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -14.739
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: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -359.923002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.923002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.923002 (E_RNA)
where:
Base-Base interactions energy: -236.782
where: short stacking energy: -109.676
Base-Backbone interact. energy: 0.330
local terms energy: -123.470164
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -34.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -342.151882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.151882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.151882 (E_RNA)
where:
Base-Base interactions energy: -220.256
where: short stacking energy: -92.485
Base-Backbone interact. energy: -0.450
local terms energy: -121.445593
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -28.448
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: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -320.906839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.906839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.906839 (E_RNA)
where:
Base-Base interactions energy: -209.937
where: short stacking energy: -99.305
Base-Backbone interact. energy: -0.032
local terms energy: -110.937433
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -300.507638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.507638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.507638 (E_RNA)
where:
Base-Base interactions energy: -193.879
where: short stacking energy: -98.580
Base-Backbone interact. energy: -1.225
local terms energy: -105.403717
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -26.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -282.841593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.841593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.841593 (E_RNA)
where:
Base-Base interactions energy: -183.903
where: short stacking energy: -92.819
Base-Backbone interact. energy: -0.057
local terms energy: -98.881764
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -282.888509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.888509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.888509 (E_RNA)
where:
Base-Base interactions energy: -183.868
where: short stacking energy: -92.710
Base-Backbone interact. energy: -0.970
local terms energy: -98.050435
where:
bonds (distance) C4'-P energy: -20.634
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -26.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -251.109867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.109867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.109867 (E_RNA)
where:
Base-Base interactions energy: -157.028
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.311
local terms energy: -93.771157
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -129.308786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.308786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.308786 (E_RNA)
where:
Base-Base interactions energy: -45.507
where: short stacking energy: -44.055
Base-Backbone interact. energy: 2.058
local terms energy: -85.860412
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -186.602444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.602444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.602444 (E_RNA)
where:
Base-Base interactions energy: -108.686
where: short stacking energy: -44.900
Base-Backbone interact. energy: -0.265
local terms energy: -77.651042
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -96.407857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.407857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.407857 (E_RNA)
where:
Base-Base interactions energy: -32.207
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.457
local terms energy: -63.743387
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: 2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -350.775648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.775648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.775648 (E_RNA)
where:
Base-Base interactions energy: -228.787
where: short stacking energy: -103.360
Base-Backbone interact. energy: 0.731
local terms energy: -122.719104
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -30.908
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: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -355.624385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.624385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.624385 (E_RNA)
where:
Base-Base interactions energy: -232.134
where: short stacking energy: -103.455
Base-Backbone interact. energy: -0.081
local terms energy: -123.410016
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -32.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -298.912717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.912717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.912717 (E_RNA)
where:
Base-Base interactions energy: -183.709
where: short stacking energy: -89.382
Base-Backbone interact. energy: -0.083
local terms energy: -115.120474
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -27.707
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -25.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -290.383868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.383868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.383868 (E_RNA)
where:
Base-Base interactions energy: -171.573
where: short stacking energy: -90.618
Base-Backbone interact. energy: -1.352
local terms energy: -117.458443
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -285.358036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.358036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.358036 (E_RNA)
where:
Base-Base interactions energy: -182.890
where: short stacking energy: -86.575
Base-Backbone interact. energy: -0.023
local terms energy: -102.444617
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -24.588
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: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -293.588125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.588125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.588125 (E_RNA)
where:
Base-Base interactions energy: -185.094
where: short stacking energy: -86.856
Base-Backbone interact. energy: -0.104
local terms energy: -108.390580
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -25.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -239.220862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.220862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.220862 (E_RNA)
where:
Base-Base interactions energy: -144.743
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.497
local terms energy: -93.981036
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -12.171
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: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -118.342592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.342592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.342592 (E_RNA)
where:
Base-Base interactions energy: -34.173
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.232
local terms energy: -83.936752
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -111.119930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.119930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.119930 (E_RNA)
where:
Base-Base interactions energy: -42.765
where: short stacking energy: -34.443
Base-Backbone interact. energy: -0.295
local terms energy: -68.059954
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: 3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -118.868145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.868145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.868145 (E_RNA)
where:
Base-Base interactions energy: -56.400
where: short stacking energy: -41.171
Base-Backbone interact. energy: -0.383
local terms energy: -62.085537
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -357.304131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.304131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.304131 (E_RNA)
where:
Base-Base interactions energy: -229.293
where: short stacking energy: -104.335
Base-Backbone interact. energy: -0.150
local terms energy: -127.860717
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -30.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -358.302303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.302303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.302303 (E_RNA)
where:
Base-Base interactions energy: -238.741
where: short stacking energy: -108.144
Base-Backbone interact. energy: -0.142
local terms energy: -119.419424
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -34.234
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: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -311.082511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.082511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.082511 (E_RNA)
where:
Base-Base interactions energy: -200.493
where: short stacking energy: -93.705
Base-Backbone interact. energy: -0.090
local terms energy: -110.499239
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -291.635450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.635450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.635450 (E_RNA)
where:
Base-Base interactions energy: -194.686
where: short stacking energy: -81.869
Base-Backbone interact. energy: 1.330
local terms energy: -98.279071
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -283.366661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.366661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.366661 (E_RNA)
where:
Base-Base interactions energy: -179.406
where: short stacking energy: -91.444
Base-Backbone interact. energy: -0.485
local terms energy: -103.475585
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -20.812
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: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -278.288822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.288822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.288822 (E_RNA)
where:
Base-Base interactions energy: -178.165
where: short stacking energy: -74.415
Base-Backbone interact. energy: -0.152
local terms energy: -99.971367
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -230.786700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.786700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.786700 (E_RNA)
where:
Base-Base interactions energy: -138.865
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.085
local terms energy: -91.836246
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -134.120485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.120485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.120485 (E_RNA)
where:
Base-Base interactions energy: -59.601
where: short stacking energy: -38.140
Base-Backbone interact. energy: -0.384
local terms energy: -74.135735
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -4.229
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: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -108.360608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.360608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.360608 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -34.612
Base-Backbone interact. energy: -0.267
local terms energy: -71.227829
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: 2.529
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: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -105.059316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.059316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.059316 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -13.222
Base-Backbone interact. energy: 2.327
local terms energy: -71.648898
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.707
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: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -363.382894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.382894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.382894 (E_RNA)
where:
Base-Base interactions energy: -235.562
where: short stacking energy: -107.527
Base-Backbone interact. energy: -0.074
local terms energy: -127.746796
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -26.096
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -33.866
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: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -350.507115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.507115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.507115 (E_RNA)
where:
Base-Base interactions energy: -239.575
where: short stacking energy: -110.541
Base-Backbone interact. energy: -0.086
local terms energy: -110.845624
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -32.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -305.097050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.097050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.097050 (E_RNA)
where:
Base-Base interactions energy: -201.017
where: short stacking energy: -97.228
Base-Backbone interact. energy: -0.012
local terms energy: -104.068055
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -31.385
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: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -308.712157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.712157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.712157 (E_RNA)
where:
Base-Base interactions energy: -190.392
where: short stacking energy: -93.486
Base-Backbone interact. energy: -0.008
local terms energy: -118.311744
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -27.149
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -29.312
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: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -276.431586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.431586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.431586 (E_RNA)
where:
Base-Base interactions energy: -171.446
where: short stacking energy: -83.283
Base-Backbone interact. energy: -0.106
local terms energy: -104.880033
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -266.290059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.290059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.290059 (E_RNA)
where:
Base-Base interactions energy: -164.525
where: short stacking energy: -83.122
Base-Backbone interact. energy: -0.386
local terms energy: -101.378854
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -22.007
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: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -262.635724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.635724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.635724 (E_RNA)
where:
Base-Base interactions energy: -167.660
where: short stacking energy: -68.445
Base-Backbone interact. energy: 0.114
local terms energy: -95.090129
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -210.038058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.038058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.038058 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -55.654
Base-Backbone interact. energy: -0.313
local terms energy: -85.987415
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -5.581
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: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -113.660147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.660147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.660147 (E_RNA)
where:
Base-Base interactions energy: -41.536
where: short stacking energy: -41.591
Base-Backbone interact. energy: -0.766
local terms energy: -71.358343
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -2.276
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: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -114.617381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.617381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.617381 (E_RNA)
where:
Base-Base interactions energy: -46.261
where: short stacking energy: -34.299
Base-Backbone interact. energy: -1.962
local terms energy: -66.394349
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: 1.908
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: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -360.068372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.068372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.068372 (E_RNA)
where:
Base-Base interactions energy: -244.620
where: short stacking energy: -112.719
Base-Backbone interact. energy: -0.519
local terms energy: -114.929825
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -33.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -358.606860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.606860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.606860 (E_RNA)
where:
Base-Base interactions energy: -239.688
where: short stacking energy: -108.585
Base-Backbone interact. energy: -0.296
local terms energy: -118.622831
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -35.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -309.066032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.066032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.066032 (E_RNA)
where:
Base-Base interactions energy: -200.905
where: short stacking energy: -96.238
Base-Backbone interact. energy: -0.136
local terms energy: -108.024222
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -308.956271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.956271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.956271 (E_RNA)
where:
Base-Base interactions energy: -198.060
where: short stacking energy: -97.945
Base-Backbone interact. energy: -0.086
local terms energy: -110.809461
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -29.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -257.544258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.544258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.544258 (E_RNA)
where:
Base-Base interactions energy: -162.331
where: short stacking energy: -71.001
Base-Backbone interact. energy: -0.447
local terms energy: -94.766929
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -14.365
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: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -287.192349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.192349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.192349 (E_RNA)
where:
Base-Base interactions energy: -177.205
where: short stacking energy: -92.335
Base-Backbone interact. energy: -0.238
local terms energy: -109.749841
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -253.911269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.911269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.911269 (E_RNA)
where:
Base-Base interactions energy: -163.124
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.051
local terms energy: -90.736408
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -23.128
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: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -227.155900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.155900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.155900 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.165
local terms energy: -90.769464
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -131.090289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.090289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.090289 (E_RNA)
where:
Base-Base interactions energy: -56.748
where: short stacking energy: -48.180
Base-Backbone interact. energy: -0.230
local terms energy: -74.111818
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -5.614
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: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -114.237064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.237064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.237064 (E_RNA)
where:
Base-Base interactions energy: -49.556
where: short stacking energy: -32.624
Base-Backbone interact. energy: 1.070
local terms energy: -65.750962
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: 2.181
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: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -343.025406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.025406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.025406 (E_RNA)
where:
Base-Base interactions energy: -229.494
where: short stacking energy: -107.291
Base-Backbone interact. energy: -0.006
local terms energy: -113.524621
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -27.332
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: 357
Temperature: 0.950000
Total energy: -360.212245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.212245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.212245 (E_RNA)
where:
Base-Base interactions energy: -228.437
where: short stacking energy: -106.892
Base-Backbone interact. energy: -0.031
local terms energy: -131.744438
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -26.673
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -33.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -318.294915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.294915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.294915 (E_RNA)
where:
Base-Base interactions energy: -205.246
where: short stacking energy: -106.104
Base-Backbone interact. energy: 0.277
local terms energy: -113.326162
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -32.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -278.261863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.261863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.261863 (E_RNA)
where:
Base-Base interactions energy: -175.068
where: short stacking energy: -88.915
Base-Backbone interact. energy: 0.408
local terms energy: -103.601705
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -288.677049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.677049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.677049 (E_RNA)
where:
Base-Base interactions energy: -176.566
where: short stacking energy: -93.927
Base-Backbone interact. energy: 0.289
local terms energy: -112.399545
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -287.778633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.778633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.778633 (E_RNA)
where:
Base-Base interactions energy: -178.276
where: short stacking energy: -90.408
Base-Backbone interact. energy: -0.008
local terms energy: -109.494828
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -24.020
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -208.552850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.552850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.552850 (E_RNA)
where:
Base-Base interactions energy: -119.502
where: short stacking energy: -67.164
Base-Backbone interact. energy: -0.043
local terms energy: -89.007505
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -220.540258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.540258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.540258 (E_RNA)
where:
Base-Base interactions energy: -130.926
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.485
local terms energy: -89.128954
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -16.752
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: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -111.579483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.579483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.579483 (E_RNA)
where:
Base-Base interactions energy: -37.353
where: short stacking energy: -22.327
Base-Backbone interact. energy: -0.407
local terms energy: -73.819067
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: 5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -103.547286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.547286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.547286 (E_RNA)
where:
Base-Base interactions energy: -27.290
where: short stacking energy: -25.212
Base-Backbone interact. energy: -1.524
local terms energy: -74.732474
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: 2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -363.988316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.988316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.988316 (E_RNA)
where:
Base-Base interactions energy: -244.751
where: short stacking energy: -116.214
Base-Backbone interact. energy: -0.103
local terms energy: -119.133931
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -27.859
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -32.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -355.019635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.019635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.019635 (E_RNA)
where:
Base-Base interactions energy: -232.514
where: short stacking energy: -102.954
Base-Backbone interact. energy: -0.005
local terms energy: -122.500459
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -31.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -310.469990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.469990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.469990 (E_RNA)
where:
Base-Base interactions energy: -191.712
where: short stacking energy: -93.834
Base-Backbone interact. energy: -0.529
local terms energy: -118.229178
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -27.940
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -30.924
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: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -281.698488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.698488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.698488 (E_RNA)
where:
Base-Base interactions energy: -170.917
where: short stacking energy: -86.740
Base-Backbone interact. energy: -0.123
local terms energy: -110.658263
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -27.468
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: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -298.916797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.916797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.916797 (E_RNA)
where:
Base-Base interactions energy: -188.585
where: short stacking energy: -98.275
Base-Backbone interact. energy: -0.003
local terms energy: -110.328307
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -23.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -279.536947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.536947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.536947 (E_RNA)
where:
Base-Base interactions energy: -180.426
where: short stacking energy: -83.304
Base-Backbone interact. energy: -0.128
local terms energy: -98.983011
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -222.832211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.832211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.832211 (E_RNA)
where:
Base-Base interactions energy: -135.006
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.116
local terms energy: -87.711080
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -218.963513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.963513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.963513 (E_RNA)
where:
Base-Base interactions energy: -133.767
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.143
local terms energy: -85.054230
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -14.455
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: 358
Temperature: 1.300000
Total energy: -112.954786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.954786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.954786 (E_RNA)
where:
Base-Base interactions energy: -44.422
where: short stacking energy: -29.554
Base-Backbone interact. energy: 3.801
local terms energy: -72.333980
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -1.469
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: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -111.062660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.062660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.062660 (E_RNA)
where:
Base-Base interactions energy: -35.872
where: short stacking energy: -34.947
Base-Backbone interact. energy: -0.482
local terms energy: -74.709101
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -12.876
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: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -356.484157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.484157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.484157 (E_RNA)
where:
Base-Base interactions energy: -230.016
where: short stacking energy: -104.480
Base-Backbone interact. energy: -0.577
local terms energy: -125.890565
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -28.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -323.681114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.681114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.681114 (E_RNA)
where:
Base-Base interactions energy: -206.502
where: short stacking energy: -101.099
Base-Backbone interact. energy: 0.791
local terms energy: -117.970265
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -25.418
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -353.916781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.916781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.916781 (E_RNA)
where:
Base-Base interactions energy: -229.837
where: short stacking energy: -99.828
Base-Backbone interact. energy: 0.928
local terms energy: -125.008134
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -35.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -268.196561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.196561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.196561 (E_RNA)
where:
Base-Base interactions energy: -168.590
where: short stacking energy: -84.044
Base-Backbone interact. energy: -1.037
local terms energy: -98.569241
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -15.215
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: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -303.799668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.799668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.799668 (E_RNA)
where:
Base-Base interactions energy: -193.852
where: short stacking energy: -89.612
Base-Backbone interact. energy: -0.930
local terms energy: -109.018452
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -28.112
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: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -284.604513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.604513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.604513 (E_RNA)
where:
Base-Base interactions energy: -185.620
where: short stacking energy: -96.041
Base-Backbone interact. energy: 0.191
local terms energy: -99.174912
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -227.171606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.171606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.171606 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.174
local terms energy: -86.883917
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -215.434822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.434822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.434822 (E_RNA)
where:
Base-Base interactions energy: -132.820
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.271
local terms energy: -82.344215
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -125.750305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.750305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.750305 (E_RNA)
where:
Base-Base interactions energy: -66.593
where: short stacking energy: -46.434
Base-Backbone interact. energy: -0.137
local terms energy: -59.019863
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: 0.027
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -1.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -121.427142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.427142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.427142 (E_RNA)
where:
Base-Base interactions energy: -46.143
where: short stacking energy: -36.340
Base-Backbone interact. energy: -0.497
local terms energy: -74.786573
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -353.359005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.359005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.359005 (E_RNA)
where:
Base-Base interactions energy: -240.563
where: short stacking energy: -102.280
Base-Backbone interact. energy: -0.020
local terms energy: -112.775411
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -27.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -318.656974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.656974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.656974 (E_RNA)
where:
Base-Base interactions energy: -200.899
where: short stacking energy: -96.095
Base-Backbone interact. energy: -0.762
local terms energy: -116.996869
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -342.548816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.548816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.548816 (E_RNA)
where:
Base-Base interactions energy: -224.036
where: short stacking energy: -107.348
Base-Backbone interact. energy: -0.097
local terms energy: -118.415655
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -33.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -256.813933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.813933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.813933 (E_RNA)
where:
Base-Base interactions energy: -157.203
where: short stacking energy: -69.981
Base-Backbone interact. energy: -0.280
local terms energy: -99.330464
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -8.239
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: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -288.924548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.924548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.924548 (E_RNA)
where:
Base-Base interactions energy: -175.832
where: short stacking energy: -84.267
Base-Backbone interact. energy: -0.283
local terms energy: -112.809308
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -26.392
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -276.026464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.026464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.026464 (E_RNA)
where:
Base-Base interactions energy: -179.207
where: short stacking energy: -88.977
Base-Backbone interact. energy: -0.101
local terms energy: -96.717927
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -229.819979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.819979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.819979 (E_RNA)
where:
Base-Base interactions energy: -135.889
where: short stacking energy: -64.657
Base-Backbone interact. energy: -0.136
local terms energy: -93.795131
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -13.573
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: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -230.138215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.138215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.138215 (E_RNA)
where:
Base-Base interactions energy: -146.883
where: short stacking energy: -81.176
Base-Backbone interact. energy: -0.036
local terms energy: -83.218691
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -127.725218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.725218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.725218 (E_RNA)
where:
Base-Base interactions energy: -54.801
where: short stacking energy: -46.124
Base-Backbone interact. energy: -1.115
local terms energy: -71.809070
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -107.179803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.179803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.179803 (E_RNA)
where:
Base-Base interactions energy: -36.187
where: short stacking energy: -29.444
Base-Backbone interact. energy: 0.048
local terms energy: -71.040213
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -359.443925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.443925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.443925 (E_RNA)
where:
Base-Base interactions energy: -235.198
where: short stacking energy: -108.160
Base-Backbone interact. energy: -0.189
local terms energy: -124.056514
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -27.636
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -33.377
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: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -348.712953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.712953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.712953 (E_RNA)
where:
Base-Base interactions energy: -232.586
where: short stacking energy: -98.570
Base-Backbone interact. energy: 0.533
local terms energy: -116.659522
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -328.657319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.657319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.657319 (E_RNA)
where:
Base-Base interactions energy: -213.029
where: short stacking energy: -101.070
Base-Backbone interact. energy: -0.449
local terms energy: -115.179425
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -27.231
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -287.095920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.095920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.095920 (E_RNA)
where:
Base-Base interactions energy: -185.572
where: short stacking energy: -82.853
Base-Backbone interact. energy: -0.021
local terms energy: -101.502600
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -27.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -239.569907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.569907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.569907 (E_RNA)
where:
Base-Base interactions energy: -144.344
where: short stacking energy: -74.507
Base-Backbone interact. energy: -1.185
local terms energy: -94.041066
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -17.908
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: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -236.266710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.266710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.266710 (E_RNA)
where:
Base-Base interactions energy: -151.830
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.865
local terms energy: -83.571556
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -14.750
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: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -253.503217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.503217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.503217 (E_RNA)
where:
Base-Base interactions energy: -158.801
where: short stacking energy: -71.105
Base-Backbone interact. energy: -0.685
local terms energy: -94.017341
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -12.368
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: 361
Temperature: 1.250000
Total energy: -204.320460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.320460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.320460 (E_RNA)
where:
Base-Base interactions energy: -116.427
where: short stacking energy: -60.320
Base-Backbone interact. energy: 0.464
local terms energy: -88.356731
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -121.417277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.417277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.417277 (E_RNA)
where:
Base-Base interactions energy: -50.925
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.293
local terms energy: -70.199120
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: 3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -98.639220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.639220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.639220 (E_RNA)
where:
Base-Base interactions energy: -43.944
where: short stacking energy: -39.799
Base-Backbone interact. energy: 0.267
local terms energy: -54.961714
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -8.307
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: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -367.614011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.614011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.614011 (E_RNA)
where:
Base-Base interactions energy: -241.906
where: short stacking energy: -111.960
Base-Backbone interact. energy: -0.487
local terms energy: -125.221709
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -34.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -356.114808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.114808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.114808 (E_RNA)
where:
Base-Base interactions energy: -238.386
where: short stacking energy: -111.043
Base-Backbone interact. energy: -0.231
local terms energy: -117.498509
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -32.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -315.600108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.600108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.600108 (E_RNA)
where:
Base-Base interactions energy: -199.352
where: short stacking energy: -96.583
Base-Backbone interact. energy: -0.132
local terms energy: -116.116410
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -30.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -302.352348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.352348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.352348 (E_RNA)
where:
Base-Base interactions energy: -196.442
where: short stacking energy: -99.713
Base-Backbone interact. energy: -0.130
local terms energy: -105.780951
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -267.305634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.305634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.305634 (E_RNA)
where:
Base-Base interactions energy: -165.567
where: short stacking energy: -80.498
Base-Backbone interact. energy: -0.114
local terms energy: -101.624525
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -24.252
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -26.052
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: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -239.040304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.040304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.040304 (E_RNA)
where:
Base-Base interactions energy: -154.937
where: short stacking energy: -62.093
Base-Backbone interact. energy: 0.167
local terms energy: -84.271144
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -218.281572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.281572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.281572 (E_RNA)
where:
Base-Base interactions energy: -129.317
where: short stacking energy: -56.933
Base-Backbone interact. energy: -1.024
local terms energy: -87.941209
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -227.534304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.534304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.534304 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.105
local terms energy: -85.590812
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -159.077794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.077794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.077794 (E_RNA)
where:
Base-Base interactions energy: -87.308
where: short stacking energy: -47.544
Base-Backbone interact. energy: -0.399
local terms energy: -71.370026
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -120.073492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.073492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.073492 (E_RNA)
where:
Base-Base interactions energy: -39.809
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.265
local terms energy: -79.999247
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -2.427
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: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -369.276114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.276114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.276114 (E_RNA)
where:
Base-Base interactions energy: -247.178
where: short stacking energy: -109.284
Base-Backbone interact. energy: -0.009
local terms energy: -122.089030
where:
bonds (distance) C4'-P energy: -25.815
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -32.037
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: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -329.446350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.446350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.446350 (E_RNA)
where:
Base-Base interactions energy: -216.698
where: short stacking energy: -98.355
Base-Backbone interact. energy: 1.028
local terms energy: -113.776609
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -25.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -335.259883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.259883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.259883 (E_RNA)
where:
Base-Base interactions energy: -230.201
where: short stacking energy: -103.967
Base-Backbone interact. energy: 1.389
local terms energy: -106.448471
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -24.707
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -28.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -294.125709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.125709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.125709 (E_RNA)
where:
Base-Base interactions energy: -187.032
where: short stacking energy: -83.320
Base-Backbone interact. energy: 0.930
local terms energy: -108.024206
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -284.183835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.183835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.183835 (E_RNA)
where:
Base-Base interactions energy: -183.626
where: short stacking energy: -80.596
Base-Backbone interact. energy: -0.323
local terms energy: -100.234475
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -21.961
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: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -259.722825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.722825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.722825 (E_RNA)
where:
Base-Base interactions energy: -157.991
where: short stacking energy: -76.639
Base-Backbone interact. energy: -0.084
local terms energy: -101.647512
where:
bonds (distance) C4'-P energy: -26.397
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -234.509465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.509465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.509465 (E_RNA)
where:
Base-Base interactions energy: -144.538
where: short stacking energy: -77.581
Base-Backbone interact. energy: -0.079
local terms energy: -89.892541
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -11.933
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: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -180.280413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.280413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.280413 (E_RNA)
where:
Base-Base interactions energy: -92.000
where: short stacking energy: -46.387
Base-Backbone interact. energy: -0.625
local terms energy: -87.655465
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -10.432
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: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -203.935229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.935229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.935229 (E_RNA)
where:
Base-Base interactions energy: -121.034
where: short stacking energy: -57.049
Base-Backbone interact. energy: 0.725
local terms energy: -83.626704
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -97.627009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.627009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.627009 (E_RNA)
where:
Base-Base interactions energy: -33.469
where: short stacking energy: -23.034
Base-Backbone interact. energy: -0.143
local terms energy: -64.015370
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -1.176
tors. eta vs tors. theta energy: -2.296
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: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -367.803687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.803687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.803687 (E_RNA)
where:
Base-Base interactions energy: -242.323
where: short stacking energy: -113.765
Base-Backbone interact. energy: -0.078
local terms energy: -125.402807
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -32.991
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: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -323.677634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.677634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.677634 (E_RNA)
where:
Base-Base interactions energy: -205.347
where: short stacking energy: -97.755
Base-Backbone interact. energy: -2.219
local terms energy: -116.112009
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -28.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -310.820354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.820354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.820354 (E_RNA)
where:
Base-Base interactions energy: -189.489
where: short stacking energy: -91.116
Base-Backbone interact. energy: -0.142
local terms energy: -121.189192
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -30.439
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -298.164322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.164322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.164322 (E_RNA)
where:
Base-Base interactions energy: -193.251
where: short stacking energy: -86.778
Base-Backbone interact. energy: -0.889
local terms energy: -104.023996
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -20.914
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: 364
Temperature: 1.100000
Total energy: -263.079431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.079431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.079431 (E_RNA)
where:
Base-Base interactions energy: -157.929
where: short stacking energy: -79.670
Base-Backbone interact. energy: -0.632
local terms energy: -104.518566
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -24.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -285.886824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.886824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.886824 (E_RNA)
where:
Base-Base interactions energy: -187.235
where: short stacking energy: -86.610
Base-Backbone interact. energy: -0.158
local terms energy: -98.493491
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -229.447195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.447195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.447195 (E_RNA)
where:
Base-Base interactions energy: -128.642
where: short stacking energy: -70.393
Base-Backbone interact. energy: -0.036
local terms energy: -100.769835
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -210.420206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.420206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.420206 (E_RNA)
where:
Base-Base interactions energy: -132.319
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.190
local terms energy: -77.910992
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -11.777
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: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -211.156017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.156017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.156017 (E_RNA)
where:
Base-Base interactions energy: -122.597
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.161
local terms energy: -88.398354
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -15.856
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: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -111.637096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.637096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.637096 (E_RNA)
where:
Base-Base interactions energy: -40.165
where: short stacking energy: -36.732
Base-Backbone interact. energy: -1.427
local terms energy: -70.045424
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: 3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -368.740994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.740994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.740994 (E_RNA)
where:
Base-Base interactions energy: -244.594
where: short stacking energy: -115.411
Base-Backbone interact. energy: -0.091
local terms energy: -124.055931
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -35.613
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: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -341.856518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.856518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.856518 (E_RNA)
where:
Base-Base interactions energy: -223.355
where: short stacking energy: -99.414
Base-Backbone interact. energy: 0.578
local terms energy: -119.080220
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -28.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -309.084130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.084130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.084130 (E_RNA)
where:
Base-Base interactions energy: -188.426
where: short stacking energy: -96.606
Base-Backbone interact. energy: -0.549
local terms energy: -120.109523
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -31.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -258.745339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.745339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.745339 (E_RNA)
where:
Base-Base interactions energy: -158.174
where: short stacking energy: -75.616
Base-Backbone interact. energy: -0.625
local terms energy: -99.946527
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -16.348
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -294.329098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.329098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.329098 (E_RNA)
where:
Base-Base interactions energy: -185.840
where: short stacking energy: -85.220
Base-Backbone interact. energy: -0.380
local terms energy: -108.109289
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -26.607
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: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -270.154470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.154470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.154470 (E_RNA)
where:
Base-Base interactions energy: -171.576
where: short stacking energy: -88.378
Base-Backbone interact. energy: -1.039
local terms energy: -97.539876
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -242.148360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.148360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.148360 (E_RNA)
where:
Base-Base interactions energy: -143.838
where: short stacking energy: -70.251
Base-Backbone interact. energy: -0.042
local terms energy: -98.268659
where:
bonds (distance) C4'-P energy: -22.666
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -212.875402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.875402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.875402 (E_RNA)
where:
Base-Base interactions energy: -129.631
where: short stacking energy: -62.264
Base-Backbone interact. energy: 0.248
local terms energy: -83.492734
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -202.902899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.902899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.902899 (E_RNA)
where:
Base-Base interactions energy: -108.504
where: short stacking energy: -48.730
Base-Backbone interact. energy: 1.634
local terms energy: -96.032653
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -113.112269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.112269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.112269 (E_RNA)
where:
Base-Base interactions energy: -34.146
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.298
local terms energy: -78.669128
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -367.110044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.110044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.110044 (E_RNA)
where:
Base-Base interactions energy: -240.016
where: short stacking energy: -110.321
Base-Backbone interact. energy: -0.631
local terms energy: -126.463090
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -36.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -318.441814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.441814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.441814 (E_RNA)
where:
Base-Base interactions energy: -205.862
where: short stacking energy: -102.624
Base-Backbone interact. energy: -0.299
local terms energy: -112.280730
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -28.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -328.781788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.781788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.781788 (E_RNA)
where:
Base-Base interactions energy: -209.943
where: short stacking energy: -116.455
Base-Backbone interact. energy: -0.293
local terms energy: -118.545134
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -32.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -249.121305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.121305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.121305 (E_RNA)
where:
Base-Base interactions energy: -160.226
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.235
local terms energy: -88.660010
where:
bonds (distance) C4'-P energy: -22.739
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -302.808727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.808727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.808727 (E_RNA)
where:
Base-Base interactions energy: -195.191
where: short stacking energy: -98.355
Base-Backbone interact. energy: -0.103
local terms energy: -107.514301
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -259.414858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.414858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.414858 (E_RNA)
where:
Base-Base interactions energy: -159.126
where: short stacking energy: -72.966
Base-Backbone interact. energy: -0.797
local terms energy: -99.491685
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -252.429707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.429707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.429707 (E_RNA)
where:
Base-Base interactions energy: -153.200
where: short stacking energy: -84.013
Base-Backbone interact. energy: -0.516
local terms energy: -98.714119
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -15.965
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: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -215.750934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.750934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.750934 (E_RNA)
where:
Base-Base interactions energy: -126.116
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.703
local terms energy: -88.932125
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -218.213249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.213249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.213249 (E_RNA)
where:
Base-Base interactions energy: -134.944
where: short stacking energy: -64.851
Base-Backbone interact. energy: -0.440
local terms energy: -82.829061
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -8.773
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: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -100.362509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.362509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.362509 (E_RNA)
where:
Base-Base interactions energy: -30.841
where: short stacking energy: -26.613
Base-Backbone interact. energy: 0.083
local terms energy: -69.605139
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -11.558
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: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -371.636820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.636820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.636820 (E_RNA)
where:
Base-Base interactions energy: -253.031
where: short stacking energy: -119.467
Base-Backbone interact. energy: -0.168
local terms energy: -118.437861
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -22.662
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -37.608
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: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -329.291337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.291337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.291337 (E_RNA)
where:
Base-Base interactions energy: -211.442
where: short stacking energy: -105.985
Base-Backbone interact. energy: -0.209
local terms energy: -117.641133
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -30.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -317.126186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.126186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.126186 (E_RNA)
where:
Base-Base interactions energy: -201.311
where: short stacking energy: -102.440
Base-Backbone interact. energy: -0.535
local terms energy: -115.280977
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -32.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -262.797594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.797594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.797594 (E_RNA)
where:
Base-Base interactions energy: -165.961
where: short stacking energy: -81.225
Base-Backbone interact. energy: 0.738
local terms energy: -97.574797
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -278.818532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.818532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.818532 (E_RNA)
where:
Base-Base interactions energy: -176.457
where: short stacking energy: -95.744
Base-Backbone interact. energy: 1.470
local terms energy: -103.831988
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -25.519
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: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -279.031805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.031805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.031805 (E_RNA)
where:
Base-Base interactions energy: -177.978
where: short stacking energy: -78.756
Base-Backbone interact. energy: 0.451
local terms energy: -101.504251
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -14.177
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: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -252.352163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.352163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.352163 (E_RNA)
where:
Base-Base interactions energy: -150.953
where: short stacking energy: -84.492
Base-Backbone interact. energy: -0.067
local terms energy: -101.332004
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -13.134
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: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -228.078747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.078747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.078747 (E_RNA)
where:
Base-Base interactions energy: -137.311
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.259
local terms energy: -90.507952
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -15.388
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: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -184.488180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.488180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.488180 (E_RNA)
where:
Base-Base interactions energy: -116.084
where: short stacking energy: -49.533
Base-Backbone interact. energy: -0.193
local terms energy: -68.211160
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -113.490098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.490098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.490098 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.217
local terms energy: -77.927947
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -364.061150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.061150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.061150 (E_RNA)
where:
Base-Base interactions energy: -245.498
where: short stacking energy: -113.997
Base-Backbone interact. energy: 0.453
local terms energy: -119.016063
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -33.332
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: 368
Temperature: 0.950000
Total energy: -333.628514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.628514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.628514 (E_RNA)
where:
Base-Base interactions energy: -222.414
where: short stacking energy: -106.239
Base-Backbone interact. energy: -0.099
local terms energy: -111.115854
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -27.686
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: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -319.789595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.789595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.789595 (E_RNA)
where:
Base-Base interactions energy: -203.758
where: short stacking energy: -90.262
Base-Backbone interact. energy: -0.159
local terms energy: -115.873252
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -232.969507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.969507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.969507 (E_RNA)
where:
Base-Base interactions energy: -140.051
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.195
local terms energy: -92.723862
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -287.718716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.718716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.718716 (E_RNA)
where:
Base-Base interactions energy: -183.253
where: short stacking energy: -85.924
Base-Backbone interact. energy: -0.635
local terms energy: -103.830860
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -293.654060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.654060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.654060 (E_RNA)
where:
Base-Base interactions energy: -186.507
where: short stacking energy: -81.194
Base-Backbone interact. energy: -0.249
local terms energy: -106.898020
where:
bonds (distance) C4'-P energy: -23.840
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -19.753
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -245.868193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.868193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.868193 (E_RNA)
where:
Base-Base interactions energy: -152.918
where: short stacking energy: -72.566
Base-Backbone interact. energy: 2.413
local terms energy: -95.362972
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -23.369
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -210.234859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.234859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.234859 (E_RNA)
where:
Base-Base interactions energy: -112.523
where: short stacking energy: -59.269
Base-Backbone interact. energy: -0.139
local terms energy: -97.573389
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -12.579
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: 368
Temperature: 1.300000
Total energy: -178.698235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.698235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.698235 (E_RNA)
where:
Base-Base interactions energy: -99.048
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.331
local terms energy: -79.318924
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -13.002
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: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -185.766107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.766107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.766107 (E_RNA)
where:
Base-Base interactions energy: -102.452
where: short stacking energy: -52.661
Base-Backbone interact. energy: -0.320
local terms energy: -82.994331
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -365.548432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.548432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.548432 (E_RNA)
where:
Base-Base interactions energy: -241.270
where: short stacking energy: -113.626
Base-Backbone interact. energy: -0.050
local terms energy: -124.228657
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -33.279
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: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -331.898469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.898469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.898469 (E_RNA)
where:
Base-Base interactions energy: -217.010
where: short stacking energy: -99.003
Base-Backbone interact. energy: -0.362
local terms energy: -114.526091
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -310.716050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.716050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.716050 (E_RNA)
where:
Base-Base interactions energy: -204.727
where: short stacking energy: -88.993
Base-Backbone interact. energy: -0.130
local terms energy: -105.859463
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -286.124402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.124402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.124402 (E_RNA)
where:
Base-Base interactions energy: -170.220
where: short stacking energy: -82.453
Base-Backbone interact. energy: -0.486
local terms energy: -115.418499
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -238.305225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.305225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.305225 (E_RNA)
where:
Base-Base interactions energy: -141.341
where: short stacking energy: -76.561
Base-Backbone interact. energy: -0.120
local terms energy: -96.844590
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -280.121634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.121634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.121634 (E_RNA)
where:
Base-Base interactions energy: -181.185
where: short stacking energy: -75.198
Base-Backbone interact. energy: -0.161
local terms energy: -98.775551
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -12.436
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: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -240.031665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.031665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.031665 (E_RNA)
where:
Base-Base interactions energy: -150.778
where: short stacking energy: -60.999
Base-Backbone interact. energy: -0.201
local terms energy: -89.053144
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -24.178
flat angles P-C4'-P energy: -8.989
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: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -224.598019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.598019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.598019 (E_RNA)
where:
Base-Base interactions energy: -134.651
where: short stacking energy: -66.167
Base-Backbone interact. energy: 0.248
local terms energy: -90.195889
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -14.721
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: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -175.328614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.328614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.328614 (E_RNA)
where:
Base-Base interactions energy: -92.853
where: short stacking energy: -39.393
Base-Backbone interact. energy: 0.466
local terms energy: -82.940741
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -197.041295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.041295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.041295 (E_RNA)
where:
Base-Base interactions energy: -113.611
where: short stacking energy: -54.068
Base-Backbone interact. energy: -0.037
local terms energy: -83.393083
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -9.913
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: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -364.905464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.905464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.905464 (E_RNA)
where:
Base-Base interactions energy: -244.028
where: short stacking energy: -112.028
Base-Backbone interact. energy: -0.228
local terms energy: -120.649652
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -37.507
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: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -338.879338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.879338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.879338 (E_RNA)
where:
Base-Base interactions energy: -225.882
where: short stacking energy: -112.796
Base-Backbone interact. energy: -0.126
local terms energy: -112.871476
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -34.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -308.917368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.917368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.917368 (E_RNA)
where:
Base-Base interactions energy: -194.236
where: short stacking energy: -94.119
Base-Backbone interact. energy: -0.017
local terms energy: -114.664701
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -288.247455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.247455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.247455 (E_RNA)
where:
Base-Base interactions energy: -178.134
where: short stacking energy: -84.408
Base-Backbone interact. energy: 2.479
local terms energy: -112.592404
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -27.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -282.881469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.881469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.881469 (E_RNA)
where:
Base-Base interactions energy: -177.466
where: short stacking energy: -86.349
Base-Backbone interact. energy: -0.265
local terms energy: -105.150801
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -29.337
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: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -246.036470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.036470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.036470 (E_RNA)
where:
Base-Base interactions energy: -147.056
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.697
local terms energy: -98.283796
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -19.928
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: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -233.665980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.665980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.665980 (E_RNA)
where:
Base-Base interactions energy: -135.692
where: short stacking energy: -84.644
Base-Backbone interact. energy: -0.054
local terms energy: -97.920316
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -252.230481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.230481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.230481 (E_RNA)
where:
Base-Base interactions energy: -169.403
where: short stacking energy: -80.901
Base-Backbone interact. energy: -0.103
local terms energy: -82.723985
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -205.357487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.357487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.357487 (E_RNA)
where:
Base-Base interactions energy: -114.745
where: short stacking energy: -53.273
Base-Backbone interact. energy: -0.544
local terms energy: -90.068704
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -140.868914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.868914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.868914 (E_RNA)
where:
Base-Base interactions energy: -72.975
where: short stacking energy: -44.812
Base-Backbone interact. energy: 1.294
local terms energy: -69.188189
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -366.059951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.059951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.059951 (E_RNA)
where:
Base-Base interactions energy: -240.120
where: short stacking energy: -106.342
Base-Backbone interact. energy: -0.169
local terms energy: -125.771499
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -24.979
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -36.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -327.623618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.623618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.623618 (E_RNA)
where:
Base-Base interactions energy: -213.155
where: short stacking energy: -112.035
Base-Backbone interact. energy: -0.011
local terms energy: -114.457429
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -26.852
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: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -326.182023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.182023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.182023 (E_RNA)
where:
Base-Base interactions energy: -208.314
where: short stacking energy: -101.225
Base-Backbone interact. energy: -1.802
local terms energy: -116.065612
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -306.888334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.888334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.888334 (E_RNA)
where:
Base-Base interactions energy: -189.758
where: short stacking energy: -93.428
Base-Backbone interact. energy: -0.232
local terms energy: -116.898916
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -26.372
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: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -301.602262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.602262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.602262 (E_RNA)
where:
Base-Base interactions energy: -196.884
where: short stacking energy: -101.477
Base-Backbone interact. energy: 0.440
local terms energy: -105.158361
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -29.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -230.002865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.002865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.002865 (E_RNA)
where:
Base-Base interactions energy: -142.641
where: short stacking energy: -72.967
Base-Backbone interact. energy: 0.818
local terms energy: -88.180741
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -11.235
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: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -248.337382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.337382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.337382 (E_RNA)
where:
Base-Base interactions energy: -154.372
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.812
local terms energy: -93.153489
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -213.989903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.989903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.989903 (E_RNA)
where:
Base-Base interactions energy: -130.700
where: short stacking energy: -67.974
Base-Backbone interact. energy: -0.100
local terms energy: -83.190341
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -192.673681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.673681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.673681 (E_RNA)
where:
Base-Base interactions energy: -109.616
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.241
local terms energy: -82.816476
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -7.261
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: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -106.634464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.634464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.634464 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -17.384
Base-Backbone interact. energy: -0.849
local terms energy: -74.022423
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: 3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -366.613082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.613082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.613082 (E_RNA)
where:
Base-Base interactions energy: -247.579
where: short stacking energy: -109.117
Base-Backbone interact. energy: -0.392
local terms energy: -118.642138
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -36.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -320.570948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.570948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.570948 (E_RNA)
where:
Base-Base interactions energy: -211.335
where: short stacking energy: -105.095
Base-Backbone interact. energy: -0.119
local terms energy: -109.116703
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -31.112
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: 372
Temperature: 1.000000
Total energy: -309.117719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.117719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.117719 (E_RNA)
where:
Base-Base interactions energy: -196.333
where: short stacking energy: -92.393
Base-Backbone interact. energy: 0.231
local terms energy: -113.015612
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -25.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -300.772984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.772984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.772984 (E_RNA)
where:
Base-Base interactions energy: -201.337
where: short stacking energy: -93.521
Base-Backbone interact. energy: 0.029
local terms energy: -99.464227
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -296.100601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.100601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.100601 (E_RNA)
where:
Base-Base interactions energy: -200.426
where: short stacking energy: -93.325
Base-Backbone interact. energy: -0.009
local terms energy: -95.665626
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -28.327
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: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -247.370726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.370726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.370726 (E_RNA)
where:
Base-Base interactions energy: -158.488
where: short stacking energy: -82.897
Base-Backbone interact. energy: -0.372
local terms energy: -88.510896
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -18.601
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: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -278.290010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.290010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.290010 (E_RNA)
where:
Base-Base interactions energy: -180.869
where: short stacking energy: -79.055
Base-Backbone interact. energy: 0.121
local terms energy: -97.542599
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -216.131678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.131678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.131678 (E_RNA)
where:
Base-Base interactions energy: -131.908
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.310
local terms energy: -83.913923
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -210.011617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.011617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.011617 (E_RNA)
where:
Base-Base interactions energy: -120.781
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.104
local terms energy: -89.126237
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -118.029912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.029912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.029912 (E_RNA)
where:
Base-Base interactions energy: -56.505
where: short stacking energy: -27.538
Base-Backbone interact. energy: -1.069
local terms energy: -60.456303
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -371.241761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.241761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.241761 (E_RNA)
where:
Base-Base interactions energy: -243.863
where: short stacking energy: -106.655
Base-Backbone interact. energy: -0.215
local terms energy: -127.163039
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -36.340
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: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -306.470400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.470400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.470400 (E_RNA)
where:
Base-Base interactions energy: -190.972
where: short stacking energy: -94.340
Base-Backbone interact. energy: -0.592
local terms energy: -114.906473
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -30.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -309.471969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.471969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.471969 (E_RNA)
where:
Base-Base interactions energy: -202.046
where: short stacking energy: -99.313
Base-Backbone interact. energy: -0.013
local terms energy: -107.412509
where:
bonds (distance) C4'-P energy: -21.099
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -29.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -318.225957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.225957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.225957 (E_RNA)
where:
Base-Base interactions energy: -211.668
where: short stacking energy: -98.937
Base-Backbone interact. energy: -0.543
local terms energy: -106.015342
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -31.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -281.288837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.288837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.288837 (E_RNA)
where:
Base-Base interactions energy: -173.078
where: short stacking energy: -84.236
Base-Backbone interact. energy: -0.145
local terms energy: -108.065771
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -24.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -275.071733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.071733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.071733 (E_RNA)
where:
Base-Base interactions energy: -184.642
where: short stacking energy: -83.467
Base-Backbone interact. energy: 1.581
local terms energy: -92.010197
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -248.424575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.424575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.424575 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -73.004
Base-Backbone interact. energy: -0.037
local terms energy: -101.931214
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -264.418893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.418893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.418893 (E_RNA)
where:
Base-Base interactions energy: -170.429
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.067
local terms energy: -93.923406
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -185.839221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.839221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.839221 (E_RNA)
where:
Base-Base interactions energy: -113.389
where: short stacking energy: -51.399
Base-Backbone interact. energy: -0.192
local terms energy: -72.258074
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -2.100
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: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -111.836217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.836217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.836217 (E_RNA)
where:
Base-Base interactions energy: -34.649
where: short stacking energy: -29.063
Base-Backbone interact. energy: -0.371
local terms energy: -76.816595
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -358.445699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.445699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.445699 (E_RNA)
where:
Base-Base interactions energy: -232.005
where: short stacking energy: -98.468
Base-Backbone interact. energy: -0.351
local terms energy: -126.089748
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -25.339
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -312.538183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.538183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.538183 (E_RNA)
where:
Base-Base interactions energy: -207.421
where: short stacking energy: -102.549
Base-Backbone interact. energy: -2.306
local terms energy: -102.811361
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -306.783809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.783809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.783809 (E_RNA)
where:
Base-Base interactions energy: -198.451
where: short stacking energy: -100.549
Base-Backbone interact. energy: -0.232
local terms energy: -108.100182
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -25.410
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -23.160
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: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -307.334669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.334669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.334669 (E_RNA)
where:
Base-Base interactions energy: -194.137
where: short stacking energy: -102.483
Base-Backbone interact. energy: -0.098
local terms energy: -113.099305
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -31.602
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: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -305.184362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.184362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.184362 (E_RNA)
where:
Base-Base interactions energy: -195.851
where: short stacking energy: -90.261
Base-Backbone interact. energy: -0.673
local terms energy: -108.661124
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -28.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -268.127917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.127917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.127917 (E_RNA)
where:
Base-Base interactions energy: -173.796
where: short stacking energy: -79.799
Base-Backbone interact. energy: 0.061
local terms energy: -94.392528
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -14.490
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: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -274.707454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.707454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.707454 (E_RNA)
where:
Base-Base interactions energy: -170.111
where: short stacking energy: -80.522
Base-Backbone interact. energy: -0.341
local terms energy: -104.255454
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -24.077
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: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -233.510260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.510260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.510260 (E_RNA)
where:
Base-Base interactions energy: -138.909
where: short stacking energy: -67.455
Base-Backbone interact. energy: -0.371
local terms energy: -94.229984
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -18.055
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: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -116.346583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.346583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.346583 (E_RNA)
where:
Base-Base interactions energy: -46.994
where: short stacking energy: -28.879
Base-Backbone interact. energy: 1.119
local terms energy: -70.470935
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -5.461
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: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -198.531626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.531626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.531626 (E_RNA)
where:
Base-Base interactions energy: -106.217
where: short stacking energy: -49.094
Base-Backbone interact. energy: -0.810
local terms energy: -91.504452
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -365.732483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.732483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.732483 (E_RNA)
where:
Base-Base interactions energy: -241.864
where: short stacking energy: -107.700
Base-Backbone interact. energy: -0.168
local terms energy: -123.700251
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -33.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -313.821338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.821338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.821338 (E_RNA)
where:
Base-Base interactions energy: -214.220
where: short stacking energy: -106.994
Base-Backbone interact. energy: -0.138
local terms energy: -99.463723
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -310.891376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.891376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.891376 (E_RNA)
where:
Base-Base interactions energy: -209.237
where: short stacking energy: -90.305
Base-Backbone interact. energy: -0.189
local terms energy: -101.465813
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -25.184
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: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -307.703320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.703320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.703320 (E_RNA)
where:
Base-Base interactions energy: -195.760
where: short stacking energy: -100.120
Base-Backbone interact. energy: -0.512
local terms energy: -111.431593
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -30.091
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: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -286.510606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.510606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.510606 (E_RNA)
where:
Base-Base interactions energy: -180.034
where: short stacking energy: -89.412
Base-Backbone interact. energy: -0.120
local terms energy: -106.357273
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -282.389967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.389967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.389967 (E_RNA)
where:
Base-Base interactions energy: -171.813
where: short stacking energy: -83.996
Base-Backbone interact. energy: -0.139
local terms energy: -110.437560
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -270.477471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.477471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.477471 (E_RNA)
where:
Base-Base interactions energy: -172.636
where: short stacking energy: -76.740
Base-Backbone interact. energy: -0.123
local terms energy: -97.718574
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -230.189467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.189467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.189467 (E_RNA)
where:
Base-Base interactions energy: -137.128
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.725
local terms energy: -92.335950
where:
bonds (distance) C4'-P energy: -24.513
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -98.617213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.617213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.617213 (E_RNA)
where:
Base-Base interactions energy: -22.428
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.423
local terms energy: -75.766280
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: 3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -186.247348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.247348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.247348 (E_RNA)
where:
Base-Base interactions energy: -109.461
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.530
local terms energy: -76.256498
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -356.371639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.371639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.371639 (E_RNA)
where:
Base-Base interactions energy: -236.220
where: short stacking energy: -103.333
Base-Backbone interact. energy: -0.783
local terms energy: -119.367883
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -31.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -323.894601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.894601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.894601 (E_RNA)
where:
Base-Base interactions energy: -206.191
where: short stacking energy: -108.851
Base-Backbone interact. energy: -0.701
local terms energy: -117.001879
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -30.289
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: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -308.344676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.344676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.344676 (E_RNA)
where:
Base-Base interactions energy: -201.176
where: short stacking energy: -81.630
Base-Backbone interact. energy: -1.542
local terms energy: -105.626756
where:
bonds (distance) C4'-P energy: -25.479
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -10.583
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: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -309.930110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.930110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.930110 (E_RNA)
where:
Base-Base interactions energy: -208.317
where: short stacking energy: -84.041
Base-Backbone interact. energy: 0.890
local terms energy: -102.502813
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -282.155767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.155767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.155767 (E_RNA)
where:
Base-Base interactions energy: -172.601
where: short stacking energy: -76.609
Base-Backbone interact. energy: 1.462
local terms energy: -111.017290
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -277.219524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.219524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.219524 (E_RNA)
where:
Base-Base interactions energy: -177.933
where: short stacking energy: -88.987
Base-Backbone interact. energy: -0.095
local terms energy: -99.192160
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -239.373150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.373150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.373150 (E_RNA)
where:
Base-Base interactions energy: -145.563
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.084
local terms energy: -93.726192
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -16.241
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: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -249.665201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.665201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.665201 (E_RNA)
where:
Base-Base interactions energy: -149.364
where: short stacking energy: -74.222
Base-Backbone interact. energy: -0.301
local terms energy: -100.000137
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -214.884080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.884080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.884080 (E_RNA)
where:
Base-Base interactions energy: -143.227
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.396
local terms energy: -71.261520
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -116.305570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.305570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.305570 (E_RNA)
where:
Base-Base interactions energy: -38.928
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.074
local terms energy: -77.303332
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -356.757044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.757044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.757044 (E_RNA)
where:
Base-Base interactions energy: -231.544
where: short stacking energy: -107.600
Base-Backbone interact. energy: 0.453
local terms energy: -125.665985
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -25.674
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -36.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -304.073288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.073288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.073288 (E_RNA)
where:
Base-Base interactions energy: -200.954
where: short stacking energy: -89.184
Base-Backbone interact. energy: -0.247
local terms energy: -102.871514
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -26.835
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: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -318.501855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.501855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.501855 (E_RNA)
where:
Base-Base interactions energy: -206.234
where: short stacking energy: -103.360
Base-Backbone interact. energy: -0.006
local terms energy: -112.262471
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -34.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -330.888191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.888191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.888191 (E_RNA)
where:
Base-Base interactions energy: -214.326
where: short stacking energy: -101.557
Base-Backbone interact. energy: -0.535
local terms energy: -116.027022
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -31.317
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: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -301.161835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.161835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.161835 (E_RNA)
where:
Base-Base interactions energy: -198.168
where: short stacking energy: -91.188
Base-Backbone interact. energy: -1.083
local terms energy: -101.910279
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -280.640278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.640278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.640278 (E_RNA)
where:
Base-Base interactions energy: -172.073
where: short stacking energy: -88.993
Base-Backbone interact. energy: -0.061
local terms energy: -108.506654
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -24.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -240.980741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.980741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.980741 (E_RNA)
where:
Base-Base interactions energy: -147.364
where: short stacking energy: -77.376
Base-Backbone interact. energy: -0.209
local terms energy: -93.408051
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -233.002966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.002966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.002966 (E_RNA)
where:
Base-Base interactions energy: -134.038
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.107
local terms energy: -98.858830
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -25.408
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -215.824051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.824051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.824051 (E_RNA)
where:
Base-Base interactions energy: -126.622
where: short stacking energy: -62.744
Base-Backbone interact. energy: -0.080
local terms energy: -89.121231
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -106.877526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.877526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.877526 (E_RNA)
where:
Base-Base interactions energy: -39.283
where: short stacking energy: -22.646
Base-Backbone interact. energy: -0.354
local terms energy: -67.241301
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -9.153
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: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -363.029899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.029899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.029899 (E_RNA)
where:
Base-Base interactions energy: -242.780
where: short stacking energy: -112.514
Base-Backbone interact. energy: -0.078
local terms energy: -120.172084
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -32.933
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: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -333.535085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.535085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.535085 (E_RNA)
where:
Base-Base interactions energy: -223.052
where: short stacking energy: -117.461
Base-Backbone interact. energy: -0.003
local terms energy: -110.479413
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -35.773
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: 378
Temperature: 1.000000
Total energy: -333.663707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.663707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.663707 (E_RNA)
where:
Base-Base interactions energy: -220.382
where: short stacking energy: -92.726
Base-Backbone interact. energy: 1.193
local terms energy: -114.475071
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -28.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -314.632408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.632408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.632408 (E_RNA)
where:
Base-Base interactions energy: -208.398
where: short stacking energy: -94.453
Base-Backbone interact. energy: 0.177
local terms energy: -106.411526
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -23.678
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: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -308.473203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.473203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.473203 (E_RNA)
where:
Base-Base interactions energy: -203.361
where: short stacking energy: -96.292
Base-Backbone interact. energy: -0.014
local terms energy: -105.098746
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -27.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -274.459062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.459062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.459062 (E_RNA)
where:
Base-Base interactions energy: -172.607
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.004
local terms energy: -101.848434
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -25.111
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: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -241.664775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.664775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.664775 (E_RNA)
where:
Base-Base interactions energy: -147.989
where: short stacking energy: -77.668
Base-Backbone interact. energy: -0.565
local terms energy: -93.110487
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -245.260272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.260272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.260272 (E_RNA)
where:
Base-Base interactions energy: -155.109
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.308
local terms energy: -89.843344
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -220.386614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.386614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.386614 (E_RNA)
where:
Base-Base interactions energy: -132.198
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.403
local terms energy: -87.785329
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -104.492330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.492330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.492330 (E_RNA)
where:
Base-Base interactions energy: -39.101
where: short stacking energy: -24.353
Base-Backbone interact. energy: -0.665
local terms energy: -64.726411
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: 2.627
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: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -365.555608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.555608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.555608 (E_RNA)
where:
Base-Base interactions energy: -237.106
where: short stacking energy: -116.720
Base-Backbone interact. energy: 0.906
local terms energy: -129.354713
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -25.034
flat angles C4'-P-C4' energy: -30.044
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -37.350
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: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -348.874620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.874620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.874620 (E_RNA)
where:
Base-Base interactions energy: -235.995
where: short stacking energy: -98.533
Base-Backbone interact. energy: -0.106
local terms energy: -112.774421
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -27.043
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -29.897
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: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -324.435430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.435430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.435430 (E_RNA)
where:
Base-Base interactions energy: -198.273
where: short stacking energy: -105.266
Base-Backbone interact. energy: -0.139
local terms energy: -126.023967
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -34.612
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: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -306.744813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.744813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.744813 (E_RNA)
where:
Base-Base interactions energy: -201.249
where: short stacking energy: -100.795
Base-Backbone interact. energy: -0.120
local terms energy: -105.375161
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -281.327584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.327584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.327584 (E_RNA)
where:
Base-Base interactions energy: -174.607
where: short stacking energy: -83.413
Base-Backbone interact. energy: -0.548
local terms energy: -106.172918
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -286.900779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.900779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.900779 (E_RNA)
where:
Base-Base interactions energy: -181.705
where: short stacking energy: -99.312
Base-Backbone interact. energy: -0.080
local terms energy: -105.115784
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -26.311
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -239.070163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.070163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.070163 (E_RNA)
where:
Base-Base interactions energy: -144.277
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.358
local terms energy: -94.435199
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -234.056561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.056561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.056561 (E_RNA)
where:
Base-Base interactions energy: -146.807
where: short stacking energy: -71.699
Base-Backbone interact. energy: -0.348
local terms energy: -86.901224
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -16.620
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: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -212.550116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.550116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.550116 (E_RNA)
where:
Base-Base interactions energy: -135.225
where: short stacking energy: -62.507
Base-Backbone interact. energy: -0.523
local terms energy: -76.801712
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -123.952324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.952324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.952324 (E_RNA)
where:
Base-Base interactions energy: -63.658
where: short stacking energy: -43.939
Base-Backbone interact. energy: -0.250
local terms energy: -60.044057
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -3.445
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: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -369.301343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.301343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.301343 (E_RNA)
where:
Base-Base interactions energy: -241.423
where: short stacking energy: -109.735
Base-Backbone interact. energy: -0.049
local terms energy: -127.828711
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -37.410
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: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -345.395281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.395281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.395281 (E_RNA)
where:
Base-Base interactions energy: -222.429
where: short stacking energy: -105.718
Base-Backbone interact. energy: -0.225
local terms energy: -122.741503
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -32.647
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: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -334.757079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.757079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.757079 (E_RNA)
where:
Base-Base interactions energy: -219.904
where: short stacking energy: -112.802
Base-Backbone interact. energy: -0.010
local terms energy: -114.843648
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -32.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -285.826285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.826285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.826285 (E_RNA)
where:
Base-Base interactions energy: -173.552
where: short stacking energy: -91.853
Base-Backbone interact. energy: -0.004
local terms energy: -112.270012
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -288.546444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.546444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.546444 (E_RNA)
where:
Base-Base interactions energy: -183.561
where: short stacking energy: -94.184
Base-Backbone interact. energy: -0.009
local terms energy: -104.976515
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -27.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -292.141544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.141544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.141544 (E_RNA)
where:
Base-Base interactions energy: -186.829
where: short stacking energy: -93.896
Base-Backbone interact. energy: 0.343
local terms energy: -105.655840
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -27.609
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: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -225.606206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.606206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.606206 (E_RNA)
where:
Base-Base interactions energy: -140.237
where: short stacking energy: -61.791
Base-Backbone interact. energy: 0.473
local terms energy: -85.841459
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -230.122599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.122599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.122599 (E_RNA)
where:
Base-Base interactions energy: -134.740
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.028
local terms energy: -95.354644
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -228.739301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.739301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.739301 (E_RNA)
where:
Base-Base interactions energy: -139.583
where: short stacking energy: -67.528
Base-Backbone interact. energy: -0.262
local terms energy: -88.894182
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -27.865
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -14.579
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: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -110.267999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.267999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.267999 (E_RNA)
where:
Base-Base interactions energy: -41.525
where: short stacking energy: -37.130
Base-Backbone interact. energy: -0.528
local terms energy: -68.214856
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: 0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -367.082145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.082145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.082145 (E_RNA)
where:
Base-Base interactions energy: -242.785
where: short stacking energy: -108.098
Base-Backbone interact. energy: -1.502
local terms energy: -122.794760
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -35.025
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: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -351.231764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.231764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.231764 (E_RNA)
where:
Base-Base interactions energy: -230.518
where: short stacking energy: -101.174
Base-Backbone interact. energy: -0.783
local terms energy: -119.930201
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -26.034
flat angles C4'-P-C4' energy: -26.542
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -29.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -327.326137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.326137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.326137 (E_RNA)
where:
Base-Base interactions energy: -207.002
where: short stacking energy: -107.843
Base-Backbone interact. energy: -0.078
local terms energy: -120.245825
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -25.003
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -36.381
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: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -299.780833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.780833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.780833 (E_RNA)
where:
Base-Base interactions energy: -188.658
where: short stacking energy: -96.206
Base-Backbone interact. energy: -0.006
local terms energy: -111.116515
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -314.011971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.011971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.011971 (E_RNA)
where:
Base-Base interactions energy: -203.907
where: short stacking energy: -103.933
Base-Backbone interact. energy: 0.314
local terms energy: -110.419392
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -27.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -293.793412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.793412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.793412 (E_RNA)
where:
Base-Base interactions energy: -185.828
where: short stacking energy: -73.398
Base-Backbone interact. energy: -0.039
local terms energy: -107.926661
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -218.649324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.649324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.649324 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -66.500
Base-Backbone interact. energy: 0.984
local terms energy: -88.603245
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -235.653764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.653764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.653764 (E_RNA)
where:
Base-Base interactions energy: -145.069
where: short stacking energy: -81.374
Base-Backbone interact. energy: 1.480
local terms energy: -92.064706
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -204.538178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.538178 (E_RNA)
where:
Base-Base interactions energy: -127.890
where: short stacking energy: -66.429
Base-Backbone interact. energy: -0.798
local terms energy: -75.850741
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -101.292069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.292069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.292069 (E_RNA)
where:
Base-Base interactions energy: -38.959
where: short stacking energy: -30.772
Base-Backbone interact. energy: 0.745
local terms energy: -63.077721
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -0.857
tors. eta vs tors. theta energy: 2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -370.533405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.533405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.533405 (E_RNA)
where:
Base-Base interactions energy: -242.848
where: short stacking energy: -113.499
Base-Backbone interact. energy: -0.188
local terms energy: -127.497102
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -29.608
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -34.276
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: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -362.092898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.092898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.092898 (E_RNA)
where:
Base-Base interactions energy: -246.258
where: short stacking energy: -111.785
Base-Backbone interact. energy: 0.243
local terms energy: -116.077255
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -34.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -306.079868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.079868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.079868 (E_RNA)
where:
Base-Base interactions energy: -190.847
where: short stacking energy: -91.181
Base-Backbone interact. energy: -0.109
local terms energy: -115.124205
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -26.574
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: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -292.354268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.354268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.354268 (E_RNA)
where:
Base-Base interactions energy: -188.900
where: short stacking energy: -92.558
Base-Backbone interact. energy: -0.735
local terms energy: -102.718652
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -25.308
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -28.493
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: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -287.388730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.388730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.388730 (E_RNA)
where:
Base-Base interactions energy: -183.169
where: short stacking energy: -90.238
Base-Backbone interact. energy: 0.437
local terms energy: -104.656957
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -24.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -248.685938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.685938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.685938 (E_RNA)
where:
Base-Base interactions energy: -160.536
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.099
local terms energy: -88.051454
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -22.615
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -235.500435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.500435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.500435 (E_RNA)
where:
Base-Base interactions energy: -139.890
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.201
local terms energy: -95.409302
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -13.909
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -223.649458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.649458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.649458 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -65.061
Base-Backbone interact. energy: -0.402
local terms energy: -86.879529
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -24.549
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -232.503095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.503095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.503095 (E_RNA)
where:
Base-Base interactions energy: -144.012
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.231
local terms energy: -88.259386
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -98.336467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.336467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.336467 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -33.975
Base-Backbone interact. energy: 0.796
local terms energy: -65.757574
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -375.519703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.519703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.519703 (E_RNA)
where:
Base-Base interactions energy: -248.340
where: short stacking energy: -116.061
Base-Backbone interact. energy: -0.674
local terms energy: -126.505811
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -36.327
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: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -358.450199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.450199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.450199 (E_RNA)
where:
Base-Base interactions energy: -236.009
where: short stacking energy: -104.829
Base-Backbone interact. energy: -0.606
local terms energy: -121.836184
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -33.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -307.911298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.911298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.911298 (E_RNA)
where:
Base-Base interactions energy: -191.459
where: short stacking energy: -90.632
Base-Backbone interact. energy: 1.576
local terms energy: -118.028233
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -23.907
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -28.104
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: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -282.659207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.659207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.659207 (E_RNA)
where:
Base-Base interactions energy: -174.451
where: short stacking energy: -75.626
Base-Backbone interact. energy: -0.108
local terms energy: -108.100224
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -289.691276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.691276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.691276 (E_RNA)
where:
Base-Base interactions energy: -181.570
where: short stacking energy: -87.371
Base-Backbone interact. energy: -0.140
local terms energy: -107.980870
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -24.850
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: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -239.442060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.442060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.442060 (E_RNA)
where:
Base-Base interactions energy: -152.540
where: short stacking energy: -71.162
Base-Backbone interact. energy: -0.186
local terms energy: -86.716036
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -12.752
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: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -223.987883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.987883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.987883 (E_RNA)
where:
Base-Base interactions energy: -132.608
where: short stacking energy: -66.475
Base-Backbone interact. energy: 0.875
local terms energy: -92.254729
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -233.040805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.040805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.040805 (E_RNA)
where:
Base-Base interactions energy: -141.010
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.330
local terms energy: -91.701095
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -6.883
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: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -200.233595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.233595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.233595 (E_RNA)
where:
Base-Base interactions energy: -123.902
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.284
local terms energy: -76.047123
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -10.475
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: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -101.814303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.814303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.814303 (E_RNA)
where:
Base-Base interactions energy: -29.186
where: short stacking energy: -21.612
Base-Backbone interact. energy: -0.385
local terms energy: -72.243353
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -14.211
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: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -372.293357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.293357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.293357 (E_RNA)
where:
Base-Base interactions energy: -240.387
where: short stacking energy: -104.236
Base-Backbone interact. energy: -0.101
local terms energy: -131.804694
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -35.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -355.875024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.875024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.875024 (E_RNA)
where:
Base-Base interactions energy: -236.650
where: short stacking energy: -105.857
Base-Backbone interact. energy: -0.039
local terms energy: -119.185236
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -35.492
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: 384
Temperature: 1.000000
Total energy: -320.235390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.235390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.235390 (E_RNA)
where:
Base-Base interactions energy: -216.134
where: short stacking energy: -89.608
Base-Backbone interact. energy: 0.207
local terms energy: -104.308051
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -26.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -296.984431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.984431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.984431 (E_RNA)
where:
Base-Base interactions energy: -190.351
where: short stacking energy: -89.311
Base-Backbone interact. energy: -0.040
local terms energy: -106.593206
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -27.314
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: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -296.294550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.294550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.294550 (E_RNA)
where:
Base-Base interactions energy: -184.240
where: short stacking energy: -87.512
Base-Backbone interact. energy: -0.126
local terms energy: -111.928319
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -255.922976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.922976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.922976 (E_RNA)
where:
Base-Base interactions energy: -162.700
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.220
local terms energy: -93.003035
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -10.622
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: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -270.048517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.048517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.048517 (E_RNA)
where:
Base-Base interactions energy: -178.224
where: short stacking energy: -82.768
Base-Backbone interact. energy: -1.353
local terms energy: -90.471342
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -21.975
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: 384
Temperature: 1.250000
Total energy: -227.874420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.874420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.874420 (E_RNA)
where:
Base-Base interactions energy: -151.208
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.973
local terms energy: -75.694060
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -194.145689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145689 (E_RNA)
where:
Base-Base interactions energy: -111.444
where: short stacking energy: -52.984
Base-Backbone interact. energy: 0.373
local terms energy: -83.075340
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -112.124801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.124801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.124801 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -35.695
Base-Backbone interact. energy: -0.469
local terms energy: -74.021417
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -361.064805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.064805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.064805 (E_RNA)
where:
Base-Base interactions energy: -246.055
where: short stacking energy: -103.754
Base-Backbone interact. energy: -0.089
local terms energy: -114.920985
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -35.715
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: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -350.902105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.902105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.902105 (E_RNA)
where:
Base-Base interactions energy: -235.186
where: short stacking energy: -107.780
Base-Backbone interact. energy: -0.382
local terms energy: -115.333990
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -31.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -344.352754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.352754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.352754 (E_RNA)
where:
Base-Base interactions energy: -226.976
where: short stacking energy: -102.682
Base-Backbone interact. energy: -0.654
local terms energy: -116.721971
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -31.869
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -295.717695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.717695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.717695 (E_RNA)
where:
Base-Base interactions energy: -191.529
where: short stacking energy: -92.765
Base-Backbone interact. energy: 1.388
local terms energy: -105.577400
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -12.997
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: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -275.573206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.573206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.573206 (E_RNA)
where:
Base-Base interactions energy: -172.996
where: short stacking energy: -81.559
Base-Backbone interact. energy: -0.446
local terms energy: -102.131501
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -249.350056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.350056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.350056 (E_RNA)
where:
Base-Base interactions energy: -159.009
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.192
local terms energy: -90.149362
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -241.359760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.359760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.359760 (E_RNA)
where:
Base-Base interactions energy: -154.643
where: short stacking energy: -73.966
Base-Backbone interact. energy: -0.651
local terms energy: -86.065213
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -224.395238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.395238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.395238 (E_RNA)
where:
Base-Base interactions energy: -131.785
where: short stacking energy: -66.937
Base-Backbone interact. energy: -0.199
local terms energy: -92.411296
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -201.786222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.786222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.786222 (E_RNA)
where:
Base-Base interactions energy: -124.043
where: short stacking energy: -57.445
Base-Backbone interact. energy: 0.629
local terms energy: -78.372513
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -112.567673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.567673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.567673 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.370
local terms energy: -78.066118
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -368.193115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.193115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.193115 (E_RNA)
where:
Base-Base interactions energy: -240.813
where: short stacking energy: -111.126
Base-Backbone interact. energy: -0.098
local terms energy: -127.282877
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -37.760
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: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -365.615618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.615618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.615618 (E_RNA)
where:
Base-Base interactions energy: -245.651
where: short stacking energy: -113.304
Base-Backbone interact. energy: -0.148
local terms energy: -119.817203
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -32.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -336.436574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.436574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.436574 (E_RNA)
where:
Base-Base interactions energy: -227.022
where: short stacking energy: -101.800
Base-Backbone interact. energy: -0.130
local terms energy: -109.284733
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -29.091
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -291.199391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.199391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.199391 (E_RNA)
where:
Base-Base interactions energy: -185.912
where: short stacking energy: -91.403
Base-Backbone interact. energy: 0.057
local terms energy: -105.344284
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -273.064174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.064174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.064174 (E_RNA)
where:
Base-Base interactions energy: -169.849
where: short stacking energy: -80.586
Base-Backbone interact. energy: -0.324
local terms energy: -102.891013
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -232.642838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.642838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.642838 (E_RNA)
where:
Base-Base interactions energy: -133.578
where: short stacking energy: -69.903
Base-Backbone interact. energy: -0.090
local terms energy: -98.974804
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -14.728
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: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -242.871413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.871413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.871413 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -75.998
Base-Backbone interact. energy: -0.297
local terms energy: -92.486573
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -235.539442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.539442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.539442 (E_RNA)
where:
Base-Base interactions energy: -147.014
where: short stacking energy: -74.002
Base-Backbone interact. energy: -0.402
local terms energy: -88.123065
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -212.478774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.478774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.478774 (E_RNA)
where:
Base-Base interactions energy: -127.742
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.313
local terms energy: -84.423471
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -12.091
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: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -113.736866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.736866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.736866 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.237
local terms energy: -69.480106
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: 0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -367.455439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.455439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.455439 (E_RNA)
where:
Base-Base interactions energy: -244.383
where: short stacking energy: -107.580
Base-Backbone interact. energy: -0.286
local terms energy: -122.786666
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -34.463
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: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -363.491984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.491984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.491984 (E_RNA)
where:
Base-Base interactions energy: -241.792
where: short stacking energy: -102.552
Base-Backbone interact. energy: -0.100
local terms energy: -121.599873
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -31.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -329.416539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.416539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.416539 (E_RNA)
where:
Base-Base interactions energy: -214.271
where: short stacking energy: -100.320
Base-Backbone interact. energy: -0.110
local terms energy: -115.035218
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -29.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -312.886514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.886514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.886514 (E_RNA)
where:
Base-Base interactions energy: -193.248
where: short stacking energy: -93.906
Base-Backbone interact. energy: -0.009
local terms energy: -119.629807
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -26.209
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -34.462
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: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -297.392196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.392196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.392196 (E_RNA)
where:
Base-Base interactions energy: -193.647
where: short stacking energy: -91.172
Base-Backbone interact. energy: -0.211
local terms energy: -103.533609
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -19.683
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -240.131785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.131785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.131785 (E_RNA)
where:
Base-Base interactions energy: -141.900
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.497
local terms energy: -97.734670
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -25.262
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -232.892414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.892414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.892414 (E_RNA)
where:
Base-Base interactions energy: -142.104
where: short stacking energy: -69.136
Base-Backbone interact. energy: -0.014
local terms energy: -90.774649
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -15.146
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: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -219.555631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.555631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.555631 (E_RNA)
where:
Base-Base interactions energy: -122.179
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.171
local terms energy: -97.205845
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -17.941
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: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -197.709045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.709045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.709045 (E_RNA)
where:
Base-Base interactions energy: -115.299
where: short stacking energy: -44.094
Base-Backbone interact. energy: 2.290
local terms energy: -84.700616
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -110.799187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.799187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.799187 (E_RNA)
where:
Base-Base interactions energy: -40.704
where: short stacking energy: -36.983
Base-Backbone interact. energy: 0.111
local terms energy: -70.205870
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -361.357471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.357471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.357471 (E_RNA)
where:
Base-Base interactions energy: -244.409
where: short stacking energy: -103.771
Base-Backbone interact. energy: -0.569
local terms energy: -116.379159
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -29.231
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: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -360.405408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.405408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.405408 (E_RNA)
where:
Base-Base interactions energy: -237.907
where: short stacking energy: -108.077
Base-Backbone interact. energy: -0.132
local terms energy: -122.366826
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -33.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -334.357769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.357769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.357769 (E_RNA)
where:
Base-Base interactions energy: -234.747
where: short stacking energy: -96.339
Base-Backbone interact. energy: -0.382
local terms energy: -99.228966
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -28.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -298.022973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.022973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.022973 (E_RNA)
where:
Base-Base interactions energy: -182.391
where: short stacking energy: -85.828
Base-Backbone interact. energy: -0.114
local terms energy: -115.517492
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -27.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -294.680563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.680563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.680563 (E_RNA)
where:
Base-Base interactions energy: -187.132
where: short stacking energy: -93.355
Base-Backbone interact. energy: -0.137
local terms energy: -107.411078
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -28.952
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: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -253.174442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.174442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.174442 (E_RNA)
where:
Base-Base interactions energy: -147.224
where: short stacking energy: -82.861
Base-Backbone interact. energy: -0.112
local terms energy: -105.838553
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -14.124
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: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -209.292763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.292763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.292763 (E_RNA)
where:
Base-Base interactions energy: -125.847
where: short stacking energy: -55.931
Base-Backbone interact. energy: -0.443
local terms energy: -83.002916
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -213.837435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.837435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.837435 (E_RNA)
where:
Base-Base interactions energy: -129.640
where: short stacking energy: -64.962
Base-Backbone interact. energy: -0.558
local terms energy: -83.639868
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -221.083700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.083700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.083700 (E_RNA)
where:
Base-Base interactions energy: -141.298
where: short stacking energy: -58.820
Base-Backbone interact. energy: 2.177
local terms energy: -81.962677
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -125.709107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.709107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.709107 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -49.158
Base-Backbone interact. energy: -0.797
local terms energy: -72.581875
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -9.082
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: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -371.531226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.531226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.531226 (E_RNA)
where:
Base-Base interactions energy: -244.367
where: short stacking energy: -113.275
Base-Backbone interact. energy: -0.465
local terms energy: -126.699125
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -19.545
tors. eta vs tors. theta energy: -34.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -358.350399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.350399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.350399 (E_RNA)
where:
Base-Base interactions energy: -237.093
where: short stacking energy: -112.677
Base-Backbone interact. energy: -0.589
local terms energy: -120.668231
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -35.919
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: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -314.896865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.896865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.896865 (E_RNA)
where:
Base-Base interactions energy: -199.375
where: short stacking energy: -103.812
Base-Backbone interact. energy: -0.166
local terms energy: -115.356264
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -26.458
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -29.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -317.602297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.602297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.602297 (E_RNA)
where:
Base-Base interactions energy: -212.720
where: short stacking energy: -102.220
Base-Backbone interact. energy: -0.096
local terms energy: -104.786840
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -287.776200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.776200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.776200 (E_RNA)
where:
Base-Base interactions energy: -179.948
where: short stacking energy: -85.881
Base-Backbone interact. energy: -0.448
local terms energy: -107.380331
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -25.029
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: 389
Temperature: 1.150000
Total energy: -253.659505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.659505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.659505 (E_RNA)
where:
Base-Base interactions energy: -163.733
where: short stacking energy: -80.395
Base-Backbone interact. energy: 3.309
local terms energy: -93.235132
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -11.333
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: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -228.956026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.956026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.956026 (E_RNA)
where:
Base-Base interactions energy: -145.013
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.265
local terms energy: -83.677940
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -227.092038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.092038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.092038 (E_RNA)
where:
Base-Base interactions energy: -139.519
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.213
local terms energy: -87.359488
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -13.667
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: 389
Temperature: 1.300000
Total energy: -209.641349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.641349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.641349 (E_RNA)
where:
Base-Base interactions energy: -117.959
where: short stacking energy: -57.575
Base-Backbone interact. energy: -0.114
local terms energy: -91.567681
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -11.404
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: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -122.710106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.710106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.710106 (E_RNA)
where:
Base-Base interactions energy: -44.753
where: short stacking energy: -42.253
Base-Backbone interact. energy: -0.179
local terms energy: -77.778166
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -5.430
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: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -370.066911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.066911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.066911 (E_RNA)
where:
Base-Base interactions energy: -240.633
where: short stacking energy: -105.277
Base-Backbone interact. energy: -0.081
local terms energy: -129.352667
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -33.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -357.174234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.174234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.174234 (E_RNA)
where:
Base-Base interactions energy: -228.879
where: short stacking energy: -108.187
Base-Backbone interact. energy: -0.057
local terms energy: -128.238253
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -26.561
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -35.177
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: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -320.070467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.070467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.070467 (E_RNA)
where:
Base-Base interactions energy: -204.956
where: short stacking energy: -104.648
Base-Backbone interact. energy: -0.002
local terms energy: -115.113071
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -28.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -315.021258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.021258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.021258 (E_RNA)
where:
Base-Base interactions energy: -204.513
where: short stacking energy: -91.927
Base-Backbone interact. energy: 0.572
local terms energy: -111.081127
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -288.136611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.136611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.136611 (E_RNA)
where:
Base-Base interactions energy: -183.530
where: short stacking energy: -84.422
Base-Backbone interact. energy: -0.319
local terms energy: -104.286749
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -23.196
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -24.219
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: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -238.786064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.786064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.786064 (E_RNA)
where:
Base-Base interactions energy: -149.860
where: short stacking energy: -76.199
Base-Backbone interact. energy: 0.127
local terms energy: -89.052992
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -16.324
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: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -240.580919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.580919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.580919 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -74.288
Base-Backbone interact. energy: 0.284
local terms energy: -107.621514
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -203.229994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.229994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.229994 (E_RNA)
where:
Base-Base interactions energy: -113.220
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.094
local terms energy: -89.916674
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -206.137080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.137080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.137080 (E_RNA)
where:
Base-Base interactions energy: -121.067
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.337
local terms energy: -84.732988
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.499
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: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -106.923374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.923374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.923374 (E_RNA)
where:
Base-Base interactions energy: -50.102
where: short stacking energy: -30.183
Base-Backbone interact. energy: 0.251
local terms energy: -57.071665
where:
bonds (distance) C4'-P energy: -6.821
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -365.271301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.271301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.271301 (E_RNA)
where:
Base-Base interactions energy: -242.243
where: short stacking energy: -106.728
Base-Backbone interact. energy: 0.541
local terms energy: -123.569599
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -34.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -316.935984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.935984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.935984 (E_RNA)
where:
Base-Base interactions energy: -200.471
where: short stacking energy: -83.898
Base-Backbone interact. energy: -0.365
local terms energy: -116.100759
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -29.773
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -340.574291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.574291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.574291 (E_RNA)
where:
Base-Base interactions energy: -228.987
where: short stacking energy: -104.779
Base-Backbone interact. energy: -0.098
local terms energy: -111.488959
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -29.965
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: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -312.111124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.111124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.111124 (E_RNA)
where:
Base-Base interactions energy: -194.359
where: short stacking energy: -98.799
Base-Backbone interact. energy: -0.080
local terms energy: -117.672134
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -31.609
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: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -276.660697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.660697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.660697 (E_RNA)
where:
Base-Base interactions energy: -169.489
where: short stacking energy: -71.747
Base-Backbone interact. energy: -0.248
local terms energy: -106.923800
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -21.427
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: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -235.701459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.701459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.701459 (E_RNA)
where:
Base-Base interactions energy: -153.645
where: short stacking energy: -72.557
Base-Backbone interact. energy: -0.218
local terms energy: -81.838945
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -237.754492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.754492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.754492 (E_RNA)
where:
Base-Base interactions energy: -154.424
where: short stacking energy: -72.365
Base-Backbone interact. energy: -0.111
local terms energy: -83.219695
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -14.122
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: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -203.630555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.630555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.630555 (E_RNA)
where:
Base-Base interactions energy: -113.014
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.175
local terms energy: -90.441978
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -198.304986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.304986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.304986 (E_RNA)
where:
Base-Base interactions energy: -114.528
where: short stacking energy: -56.465
Base-Backbone interact. energy: -0.344
local terms energy: -83.432944
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -11.713
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: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -121.386519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.386519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.386519 (E_RNA)
where:
Base-Base interactions energy: -45.352
where: short stacking energy: -29.159
Base-Backbone interact. energy: -0.063
local terms energy: -75.971785
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -359.270199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.270199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.270199 (E_RNA)
where:
Base-Base interactions energy: -231.499
where: short stacking energy: -105.549
Base-Backbone interact. energy: -0.122
local terms energy: -127.650078
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -25.876
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -33.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -318.999020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.999020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.999020 (E_RNA)
where:
Base-Base interactions energy: -207.368
where: short stacking energy: -105.650
Base-Backbone interact. energy: -0.296
local terms energy: -111.335691
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -24.232
flat angles C4'-P-C4' energy: -25.153
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -27.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -312.860588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.860588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.860588 (E_RNA)
where:
Base-Base interactions energy: -204.993
where: short stacking energy: -90.072
Base-Backbone interact. energy: -0.666
local terms energy: -107.201581
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -24.700
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: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -323.315076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.315076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.315076 (E_RNA)
where:
Base-Base interactions energy: -217.450
where: short stacking energy: -87.646
Base-Backbone interact. energy: -0.480
local terms energy: -105.384168
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -25.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -272.965906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.965906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.965906 (E_RNA)
where:
Base-Base interactions energy: -174.185
where: short stacking energy: -82.897
Base-Backbone interact. energy: -0.362
local terms energy: -98.418205
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -274.770569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.770569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.770569 (E_RNA)
where:
Base-Base interactions energy: -174.775
where: short stacking energy: -76.663
Base-Backbone interact. energy: -1.576
local terms energy: -98.420134
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -19.837
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: 392
Temperature: 1.200000
Total energy: -225.323628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.323628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.323628 (E_RNA)
where:
Base-Base interactions energy: -146.026
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.120
local terms energy: -79.177707
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -232.504999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.504999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.504999 (E_RNA)
where:
Base-Base interactions energy: -134.349
where: short stacking energy: -67.060
Base-Backbone interact. energy: -1.575
local terms energy: -96.580103
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -190.882557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.882557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.882557 (E_RNA)
where:
Base-Base interactions energy: -109.092
where: short stacking energy: -49.782
Base-Backbone interact. energy: -0.685
local terms energy: -81.105295
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -137.648158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.648158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.648158 (E_RNA)
where:
Base-Base interactions energy: -57.380
where: short stacking energy: -45.770
Base-Backbone interact. energy: -0.144
local terms energy: -80.124454
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -368.300598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.300598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.300598 (E_RNA)
where:
Base-Base interactions energy: -236.884
where: short stacking energy: -102.858
Base-Backbone interact. energy: -0.068
local terms energy: -131.348276
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -37.057
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: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -322.879090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.879090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.879090 (E_RNA)
where:
Base-Base interactions energy: -214.130
where: short stacking energy: -96.943
Base-Backbone interact. energy: -0.136
local terms energy: -108.612615
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -29.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -325.704869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.704869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.704869 (E_RNA)
where:
Base-Base interactions energy: -225.769
where: short stacking energy: -98.876
Base-Backbone interact. energy: -0.349
local terms energy: -99.586804
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -22.618
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: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -327.060454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.060454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.060454 (E_RNA)
where:
Base-Base interactions energy: -212.982
where: short stacking energy: -101.908
Base-Backbone interact. energy: -0.610
local terms energy: -113.468302
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -30.697
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: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -299.771983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.771983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.771983 (E_RNA)
where:
Base-Base interactions energy: -197.556
where: short stacking energy: -92.414
Base-Backbone interact. energy: -0.190
local terms energy: -102.026262
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -27.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -266.141070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.141070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.141070 (E_RNA)
where:
Base-Base interactions energy: -166.693
where: short stacking energy: -78.916
Base-Backbone interact. energy: -0.236
local terms energy: -99.212086
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -14.440
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: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -198.399212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.399212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.399212 (E_RNA)
where:
Base-Base interactions energy: -117.359
where: short stacking energy: -59.251
Base-Backbone interact. energy: 0.966
local terms energy: -82.006545
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -240.452922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.452922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.452922 (E_RNA)
where:
Base-Base interactions energy: -146.765
where: short stacking energy: -73.049
Base-Backbone interact. energy: 1.671
local terms energy: -95.358991
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -192.276755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.276755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.276755 (E_RNA)
where:
Base-Base interactions energy: -109.558
where: short stacking energy: -46.713
Base-Backbone interact. energy: 1.300
local terms energy: -84.018825
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -131.725738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.725738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.725738 (E_RNA)
where:
Base-Base interactions energy: -69.000
where: short stacking energy: -43.946
Base-Backbone interact. energy: 0.378
local terms energy: -63.104182
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -351.143685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.143685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.143685 (E_RNA)
where:
Base-Base interactions energy: -242.307
where: short stacking energy: -105.042
Base-Backbone interact. energy: -0.702
local terms energy: -108.134921
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -329.962842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.962842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.962842 (E_RNA)
where:
Base-Base interactions energy: -213.407
where: short stacking energy: -101.708
Base-Backbone interact. energy: -0.010
local terms energy: -116.546012
where:
bonds (distance) C4'-P energy: -27.508
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -26.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -297.544085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.544085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.544085 (E_RNA)
where:
Base-Base interactions energy: -187.282
where: short stacking energy: -86.805
Base-Backbone interact. energy: -0.022
local terms energy: -110.239304
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -331.527527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.527527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.527527 (E_RNA)
where:
Base-Base interactions energy: -220.997
where: short stacking energy: -100.675
Base-Backbone interact. energy: 0.266
local terms energy: -110.796859
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -29.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -307.712228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.712228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.712228 (E_RNA)
where:
Base-Base interactions energy: -194.425
where: short stacking energy: -105.656
Base-Backbone interact. energy: -0.731
local terms energy: -112.555944
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -27.028
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -276.802557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.802557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.802557 (E_RNA)
where:
Base-Base interactions energy: -176.369
where: short stacking energy: -74.249
Base-Backbone interact. energy: -0.286
local terms energy: -100.147740
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -12.661
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: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -227.178827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.178827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.178827 (E_RNA)
where:
Base-Base interactions energy: -138.249
where: short stacking energy: -63.463
Base-Backbone interact. energy: -0.166
local terms energy: -88.764331
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -221.704463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.704463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.704463 (E_RNA)
where:
Base-Base interactions energy: -141.129
where: short stacking energy: -61.086
Base-Backbone interact. energy: 1.097
local terms energy: -81.672780
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -10.354
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: 394
Temperature: 1.300000
Total energy: -193.940198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.940198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.940198 (E_RNA)
where:
Base-Base interactions energy: -125.369
where: short stacking energy: -50.402
Base-Backbone interact. energy: -0.117
local terms energy: -68.454282
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -105.935849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.935849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.935849 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -28.343
Base-Backbone interact. energy: -0.134
local terms energy: -74.824583
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -377.734145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.734145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.734145 (E_RNA)
where:
Base-Base interactions energy: -248.939
where: short stacking energy: -118.855
Base-Backbone interact. energy: -0.115
local terms energy: -128.679928
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -34.099
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: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -326.183476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.183476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.183476 (E_RNA)
where:
Base-Base interactions energy: -219.088
where: short stacking energy: -91.954
Base-Backbone interact. energy: -0.179
local terms energy: -106.917166
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -23.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -323.989908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.989908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.989908 (E_RNA)
where:
Base-Base interactions energy: -197.559
where: short stacking energy: -91.194
Base-Backbone interact. energy: -0.389
local terms energy: -126.041891
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -30.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -335.493065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.493065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.493065 (E_RNA)
where:
Base-Base interactions energy: -225.221
where: short stacking energy: -100.564
Base-Backbone interact. energy: -1.053
local terms energy: -109.219471
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -25.796
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -27.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -300.875985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.875985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.875985 (E_RNA)
where:
Base-Base interactions energy: -198.841
where: short stacking energy: -89.794
Base-Backbone interact. energy: -0.578
local terms energy: -101.457748
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -239.343634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.343634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.343634 (E_RNA)
where:
Base-Base interactions energy: -150.656
where: short stacking energy: -71.643
Base-Backbone interact. energy: -0.085
local terms energy: -88.602772
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -262.653143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.653143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.653143 (E_RNA)
where:
Base-Base interactions energy: -170.169
where: short stacking energy: -78.985
Base-Backbone interact. energy: 0.905
local terms energy: -93.389907
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -14.559
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: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -213.364968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.364968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.364968 (E_RNA)
where:
Base-Base interactions energy: -133.803
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.255
local terms energy: -79.306416
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -222.117160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.117160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.117160 (E_RNA)
where:
Base-Base interactions energy: -129.600
where: short stacking energy: -64.839
Base-Backbone interact. energy: -0.029
local terms energy: -92.487502
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -14.877
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: 395
Temperature: 1.350000
Total energy: -106.223785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.223785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.223785 (E_RNA)
where:
Base-Base interactions energy: -48.863
where: short stacking energy: -43.423
Base-Backbone interact. energy: 0.580
local terms energy: -57.940043
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: 0.744
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: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -366.434538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.434538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.434538 (E_RNA)
where:
Base-Base interactions energy: -246.846
where: short stacking energy: -111.698
Base-Backbone interact. energy: -0.097
local terms energy: -119.491380
where:
bonds (distance) C4'-P energy: -21.764
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -36.623
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: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -329.786850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.786850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.786850 (E_RNA)
where:
Base-Base interactions energy: -206.272
where: short stacking energy: -107.229
Base-Backbone interact. energy: -0.116
local terms energy: -123.398798
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -35.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -331.937766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.937766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.937766 (E_RNA)
where:
Base-Base interactions energy: -215.228
where: short stacking energy: -102.600
Base-Backbone interact. energy: -0.149
local terms energy: -116.560684
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -34.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -317.156378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.156378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.156378 (E_RNA)
where:
Base-Base interactions energy: -207.623
where: short stacking energy: -105.487
Base-Backbone interact. energy: -0.030
local terms energy: -109.503944
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -31.629
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: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -306.023349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.023349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.023349 (E_RNA)
where:
Base-Base interactions energy: -200.116
where: short stacking energy: -96.487
Base-Backbone interact. energy: 0.906
local terms energy: -106.812556
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -247.062319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.062319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.062319 (E_RNA)
where:
Base-Base interactions energy: -147.679
where: short stacking energy: -80.462
Base-Backbone interact. energy: -0.872
local terms energy: -98.511419
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -225.192987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.192987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.192987 (E_RNA)
where:
Base-Base interactions energy: -151.008
where: short stacking energy: -63.849
Base-Backbone interact. energy: -0.063
local terms energy: -74.122465
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -238.369076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.369076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.369076 (E_RNA)
where:
Base-Base interactions energy: -152.016
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.202
local terms energy: -86.151865
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -223.113744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.113744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.113744 (E_RNA)
where:
Base-Base interactions energy: -141.675
where: short stacking energy: -72.477
Base-Backbone interact. energy: -0.107
local terms energy: -81.332582
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -115.664029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.664029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.664029 (E_RNA)
where:
Base-Base interactions energy: -43.164
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.242
local terms energy: -72.258689
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -0.711
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: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -373.544664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.544664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.544664 (E_RNA)
where:
Base-Base interactions energy: -250.970
where: short stacking energy: -117.839
Base-Backbone interact. energy: -0.100
local terms energy: -122.474628
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -34.350
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: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -338.673790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.673790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.673790 (E_RNA)
where:
Base-Base interactions energy: -221.299
where: short stacking energy: -98.396
Base-Backbone interact. energy: -0.227
local terms energy: -117.147816
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -29.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -327.314422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.314422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.314422 (E_RNA)
where:
Base-Base interactions energy: -217.312
where: short stacking energy: -92.352
Base-Backbone interact. energy: 0.871
local terms energy: -110.873418
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -301.537463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.537463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.537463 (E_RNA)
where:
Base-Base interactions energy: -182.704
where: short stacking energy: -90.756
Base-Backbone interact. energy: -0.092
local terms energy: -118.741282
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -29.867
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: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -305.840503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.840503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.840503 (E_RNA)
where:
Base-Base interactions energy: -199.660
where: short stacking energy: -97.484
Base-Backbone interact. energy: -0.283
local terms energy: -105.897941
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -27.936
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: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -242.529496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.529496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.529496 (E_RNA)
where:
Base-Base interactions energy: -161.447
where: short stacking energy: -86.025
Base-Backbone interact. energy: -0.244
local terms energy: -80.838291
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -204.614940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.614940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.614940 (E_RNA)
where:
Base-Base interactions energy: -113.681
where: short stacking energy: -50.527
Base-Backbone interact. energy: -0.498
local terms energy: -90.436294
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -225.425251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.425251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.425251 (E_RNA)
where:
Base-Base interactions energy: -136.615
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.133
local terms energy: -88.677308
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -17.121
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: 397
Temperature: 1.300000
Total energy: -215.212254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.212254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.212254 (E_RNA)
where:
Base-Base interactions energy: -130.674
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.380
local terms energy: -84.158132
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -12.119
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: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -100.838009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.838009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.838009 (E_RNA)
where:
Base-Base interactions energy: -27.296
where: short stacking energy: -22.764
Base-Backbone interact. energy: -0.288
local terms energy: -73.253819
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -0.230
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: 398
Temperature: 0.900000
Total energy: -364.835340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.835340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.835340 (E_RNA)
where:
Base-Base interactions energy: -243.382
where: short stacking energy: -115.326
Base-Backbone interact. energy: -0.099
local terms energy: -121.354643
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -34.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -330.374092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.374092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.374092 (E_RNA)
where:
Base-Base interactions energy: -212.653
where: short stacking energy: -99.424
Base-Backbone interact. energy: -0.107
local terms energy: -117.614335
where:
bonds (distance) C4'-P energy: -24.184
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -301.265505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.265505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.265505 (E_RNA)
where:
Base-Base interactions energy: -193.338
where: short stacking energy: -91.803
Base-Backbone interact. energy: -0.125
local terms energy: -107.802837
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -26.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -303.769999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.769999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.769999 (E_RNA)
where:
Base-Base interactions energy: -190.180
where: short stacking energy: -92.560
Base-Backbone interact. energy: -0.129
local terms energy: -113.461493
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -29.068
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: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -297.796397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.796397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.796397 (E_RNA)
where:
Base-Base interactions energy: -195.141
where: short stacking energy: -94.273
Base-Backbone interact. energy: 4.210
local terms energy: -106.865548
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -250.274050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.274050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.274050 (E_RNA)
where:
Base-Base interactions energy: -156.826
where: short stacking energy: -76.420
Base-Backbone interact. energy: -0.058
local terms energy: -93.389832
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -213.981384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.981384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.981384 (E_RNA)
where:
Base-Base interactions energy: -121.915
where: short stacking energy: -57.388
Base-Backbone interact. energy: -1.387
local terms energy: -90.680051
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -228.159664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.159664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.159664 (E_RNA)
where:
Base-Base interactions energy: -135.368
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.097
local terms energy: -92.693990
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -225.561244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.561244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.561244 (E_RNA)
where:
Base-Base interactions energy: -144.652
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.492
local terms energy: -80.416599
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -114.438177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.438177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.438177 (E_RNA)
where:
Base-Base interactions energy: -48.238
where: short stacking energy: -41.343
Base-Backbone interact. energy: -0.361
local terms energy: -65.838945
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -5.534
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: 399
Temperature: 0.900000
Total energy: -373.511451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.511451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.511451 (E_RNA)
where:
Base-Base interactions energy: -252.802
where: short stacking energy: -114.156
Base-Backbone interact. energy: 1.305
local terms energy: -122.015080
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -33.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -321.452145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.452145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.452145 (E_RNA)
where:
Base-Base interactions energy: -201.079
where: short stacking energy: -106.839
Base-Backbone interact. energy: 0.114
local terms energy: -120.487083
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -24.814
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -31.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -328.547097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.547097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.547097 (E_RNA)
where:
Base-Base interactions energy: -216.749
where: short stacking energy: -97.232
Base-Backbone interact. energy: -0.247
local terms energy: -111.550746
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -29.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -295.450202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.450202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.450202 (E_RNA)
where:
Base-Base interactions energy: -187.181
where: short stacking energy: -77.396
Base-Backbone interact. energy: -0.280
local terms energy: -107.989050
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -23.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -283.899599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.899599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.899599 (E_RNA)
where:
Base-Base interactions energy: -176.257
where: short stacking energy: -87.358
Base-Backbone interact. energy: -0.046
local terms energy: -107.596340
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -27.735
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: 399
Temperature: 1.150000
Total energy: -249.987512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.987512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.987512 (E_RNA)
where:
Base-Base interactions energy: -141.613
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.031
local terms energy: -108.344135
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -18.924
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: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -226.561539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.561539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.561539 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.743
local terms energy: -82.095898
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -214.453876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.453876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.453876 (E_RNA)
where:
Base-Base interactions energy: -129.667
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.234
local terms energy: -84.553256
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -221.610934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.610934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.610934 (E_RNA)
where:
Base-Base interactions energy: -129.084
where: short stacking energy: -64.307
Base-Backbone interact. energy: -0.719
local terms energy: -91.808015
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -114.973595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.973595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.973595 (E_RNA)
where:
Base-Base interactions energy: -44.378
where: short stacking energy: -44.378
Base-Backbone interact. energy: -0.262
local terms energy: -70.333891
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -10.150
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: 400
Temperature: 0.900000
Total energy: -368.419657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.419657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.419657 (E_RNA)
where:
Base-Base interactions energy: -243.956
where: short stacking energy: -106.009
Base-Backbone interact. energy: 1.336
local terms energy: -125.798827
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -27.831
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -29.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -329.646875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.646875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.646875 (E_RNA)
where:
Base-Base interactions energy: -215.394
where: short stacking energy: -103.003
Base-Backbone interact. energy: 1.496
local terms energy: -115.748903
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -27.893
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -31.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -308.913223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.913223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.913223 (E_RNA)
where:
Base-Base interactions energy: -196.659
where: short stacking energy: -99.757
Base-Backbone interact. energy: -0.008
local terms energy: -112.246024
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -35.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -307.293861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.293861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.293861 (E_RNA)
where:
Base-Base interactions energy: -202.642
where: short stacking energy: -101.570
Base-Backbone interact. energy: -0.454
local terms energy: -104.198359
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -27.453
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: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -257.040111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.040111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.040111 (E_RNA)
where:
Base-Base interactions energy: -161.489
where: short stacking energy: -71.585
Base-Backbone interact. energy: -0.089
local terms energy: -95.462468
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -274.259842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.259842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.259842 (E_RNA)
where:
Base-Base interactions energy: -175.442
where: short stacking energy: -78.196
Base-Backbone interact. energy: 0.004
local terms energy: -98.822032
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -219.748965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.748965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.748965 (E_RNA)
where:
Base-Base interactions energy: -127.884
where: short stacking energy: -56.172
Base-Backbone interact. energy: -0.065
local terms energy: -91.799935
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -209.119120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.119120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.119120 (E_RNA)
where:
Base-Base interactions energy: -121.430
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.456
local terms energy: -87.232969
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -10.707
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: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -236.789430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.789430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.789430 (E_RNA)
where:
Base-Base interactions energy: -145.539
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.315
local terms energy: -90.935107
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -25.329
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -12.491
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: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -111.254042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.254042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.254042 (E_RNA)
where:
Base-Base interactions energy: -45.826
where: short stacking energy: -41.614
Base-Backbone interact. energy: 0.889
local terms energy: -66.317599
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -16.667
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: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -361.215070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.215070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.215070 (E_RNA)
where:
Base-Base interactions energy: -239.046
where: short stacking energy: -108.376
Base-Backbone interact. energy: 2.315
local terms energy: -124.484208
where:
bonds (distance) C4'-P energy: -24.601
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -32.141
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: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -314.691064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.691064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.691064 (E_RNA)
where:
Base-Base interactions energy: -204.989
where: short stacking energy: -90.456
Base-Backbone interact. energy: -0.175
local terms energy: -109.527359
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -313.593445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.593445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.593445 (E_RNA)
where:
Base-Base interactions energy: -194.017
where: short stacking energy: -95.803
Base-Backbone interact. energy: -0.010
local terms energy: -119.566471
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -304.935356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.935356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.935356 (E_RNA)
where:
Base-Base interactions energy: -185.115
where: short stacking energy: -83.644
Base-Backbone interact. energy: -0.114
local terms energy: -119.706167
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -27.505
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -27.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -254.101086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.101086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.101086 (E_RNA)
where:
Base-Base interactions energy: -157.732
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.372
local terms energy: -95.996640
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -293.716721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.716721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.716721 (E_RNA)
where:
Base-Base interactions energy: -187.212
where: short stacking energy: -89.625
Base-Backbone interact. energy: -0.107
local terms energy: -106.397488
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -232.657830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.657830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.657830 (E_RNA)
where:
Base-Base interactions energy: -142.393
where: short stacking energy: -63.244
Base-Backbone interact. energy: -1.204
local terms energy: -89.060272
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -192.369926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.369926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.369926 (E_RNA)
where:
Base-Base interactions energy: -115.181
where: short stacking energy: -58.834
Base-Backbone interact. energy: 0.131
local terms energy: -77.320479
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -204.158613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.158613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.158613 (E_RNA)
where:
Base-Base interactions energy: -136.514
where: short stacking energy: -46.238
Base-Backbone interact. energy: 0.284
local terms energy: -67.928959
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -128.257556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.257556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.257556 (E_RNA)
where:
Base-Base interactions energy: -57.319
where: short stacking energy: -32.991
Base-Backbone interact. energy: -0.316
local terms energy: -70.621664
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -12.946
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: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -362.069740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.069740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.069740 (E_RNA)
where:
Base-Base interactions energy: -232.062
where: short stacking energy: -104.608
Base-Backbone interact. energy: 2.015
local terms energy: -132.023284
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -28.446
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -32.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -306.424084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.424084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.424084 (E_RNA)
where:
Base-Base interactions energy: -197.624
where: short stacking energy: -91.667
Base-Backbone interact. energy: -0.254
local terms energy: -108.546108
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -316.761155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.761155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.761155 (E_RNA)
where:
Base-Base interactions energy: -208.391
where: short stacking energy: -110.260
Base-Backbone interact. energy: -0.321
local terms energy: -108.049488
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -274.993583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.993583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.993583 (E_RNA)
where:
Base-Base interactions energy: -177.346
where: short stacking energy: -77.357
Base-Backbone interact. energy: 1.159
local terms energy: -98.805977
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -259.295078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.295078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.295078 (E_RNA)
where:
Base-Base interactions energy: -165.851
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.043
local terms energy: -93.400995
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -244.320414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.320414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.320414 (E_RNA)
where:
Base-Base interactions energy: -148.224
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.504
local terms energy: -95.591968
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -229.322759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.322759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.322759 (E_RNA)
where:
Base-Base interactions energy: -134.838
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.272
local terms energy: -94.212143
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -23.475
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -223.588988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.588988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.588988 (E_RNA)
where:
Base-Base interactions energy: -132.882
where: short stacking energy: -60.438
Base-Backbone interact. energy: 1.543
local terms energy: -92.249855
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -137.130048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.130048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.130048 (E_RNA)
where:
Base-Base interactions energy: -68.190
where: short stacking energy: -44.535
Base-Backbone interact. energy: -0.101
local terms energy: -68.838694
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -186.430315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.430315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.430315 (E_RNA)
where:
Base-Base interactions energy: -106.325
where: short stacking energy: -46.491
Base-Backbone interact. energy: -1.200
local terms energy: -78.905174
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -365.076976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.076976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.076976 (E_RNA)
where:
Base-Base interactions energy: -244.570
where: short stacking energy: -101.800
Base-Backbone interact. energy: 1.251
local terms energy: -121.758501
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -30.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -314.627898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.627898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.627898 (E_RNA)
where:
Base-Base interactions energy: -204.500
where: short stacking energy: -99.998
Base-Backbone interact. energy: -0.005
local terms energy: -110.122830
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -30.670
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: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -328.753048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.753048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.753048 (E_RNA)
where:
Base-Base interactions energy: -209.691
where: short stacking energy: -109.085
Base-Backbone interact. energy: -0.004
local terms energy: -119.058075
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -23.925
flat angles C4'-P-C4' energy: -27.658
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -31.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -298.846723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.846723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.846723 (E_RNA)
where:
Base-Base interactions energy: -187.364
where: short stacking energy: -90.047
Base-Backbone interact. energy: -0.350
local terms energy: -111.133423
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -285.986283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.986283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.986283 (E_RNA)
where:
Base-Base interactions energy: -175.887
where: short stacking energy: -93.939
Base-Backbone interact. energy: -0.099
local terms energy: -110.000793
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -25.691
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: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -234.033339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.033339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.033339 (E_RNA)
where:
Base-Base interactions energy: -150.873
where: short stacking energy: -74.852
Base-Backbone interact. energy: -1.219
local terms energy: -81.941929
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -8.085
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: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -231.532292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.532292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.532292 (E_RNA)
where:
Base-Base interactions energy: -145.078
where: short stacking energy: -63.924
Base-Backbone interact. energy: -2.227
local terms energy: -84.226695
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -218.064815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.064815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.064815 (E_RNA)
where:
Base-Base interactions energy: -124.344
where: short stacking energy: -61.759
Base-Backbone interact. energy: -0.285
local terms energy: -93.435644
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -163.772649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.772649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.772649 (E_RNA)
where:
Base-Base interactions energy: -79.094
where: short stacking energy: -42.050
Base-Backbone interact. energy: -1.585
local terms energy: -83.093175
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -8.788
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: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -194.896474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.896474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.896474 (E_RNA)
where:
Base-Base interactions energy: -125.281
where: short stacking energy: -60.252
Base-Backbone interact. energy: -0.167
local terms energy: -69.448557
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -361.190346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.190346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.190346 (E_RNA)
where:
Base-Base interactions energy: -244.793
where: short stacking energy: -113.153
Base-Backbone interact. energy: -0.094
local terms energy: -116.302766
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -25.833
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -329.653932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.653932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.653932 (E_RNA)
where:
Base-Base interactions energy: -209.980
where: short stacking energy: -110.820
Base-Backbone interact. energy: -0.062
local terms energy: -119.611538
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -33.912
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: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -302.699053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.699053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.699053 (E_RNA)
where:
Base-Base interactions energy: -192.145
where: short stacking energy: -90.137
Base-Backbone interact. energy: -0.200
local terms energy: -110.353815
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -29.314
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: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -302.986048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.986048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.986048 (E_RNA)
where:
Base-Base interactions energy: -202.886
where: short stacking energy: -90.912
Base-Backbone interact. energy: -0.047
local terms energy: -100.052903
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -302.068036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.068036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.068036 (E_RNA)
where:
Base-Base interactions energy: -198.235
where: short stacking energy: -86.289
Base-Backbone interact. energy: -0.163
local terms energy: -103.670265
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -240.375826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.375826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.375826 (E_RNA)
where:
Base-Base interactions energy: -153.134
where: short stacking energy: -59.688
Base-Backbone interact. energy: -0.508
local terms energy: -86.734447
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -249.495157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.495157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.495157 (E_RNA)
where:
Base-Base interactions energy: -158.785
where: short stacking energy: -71.983
Base-Backbone interact. energy: -0.138
local terms energy: -90.571763
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -231.780934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.780934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.780934 (E_RNA)
where:
Base-Base interactions energy: -136.127
where: short stacking energy: -50.137
Base-Backbone interact. energy: -0.314
local terms energy: -95.339931
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -9.488
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: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -205.489397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.489397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.489397 (E_RNA)
where:
Base-Base interactions energy: -119.275
where: short stacking energy: -63.646
Base-Backbone interact. energy: 0.389
local terms energy: -86.603814
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -7.712
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: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -116.820129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.820129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.820129 (E_RNA)
where:
Base-Base interactions energy: -44.997
where: short stacking energy: -39.653
Base-Backbone interact. energy: 0.131
local terms energy: -71.953951
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -15.500
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: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -365.528644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.528644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.528644 (E_RNA)
where:
Base-Base interactions energy: -239.851
where: short stacking energy: -110.627
Base-Backbone interact. energy: -1.509
local terms energy: -124.168818
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -35.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -304.278231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.278231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.278231 (E_RNA)
where:
Base-Base interactions energy: -195.112
where: short stacking energy: -86.369
Base-Backbone interact. energy: -0.122
local terms energy: -109.044284
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -301.397308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.397308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.397308 (E_RNA)
where:
Base-Base interactions energy: -190.308
where: short stacking energy: -85.635
Base-Backbone interact. energy: -0.262
local terms energy: -110.827296
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -326.776775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.776775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.776775 (E_RNA)
where:
Base-Base interactions energy: -206.670
where: short stacking energy: -103.750
Base-Backbone interact. energy: -0.085
local terms energy: -120.021550
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -28.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -264.452997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.452997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.452997 (E_RNA)
where:
Base-Base interactions energy: -161.517
where: short stacking energy: -83.147
Base-Backbone interact. energy: -1.001
local terms energy: -101.934865
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -246.320272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.320272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.320272 (E_RNA)
where:
Base-Base interactions energy: -148.985
where: short stacking energy: -76.975
Base-Backbone interact. energy: -0.439
local terms energy: -96.895910
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -17.311
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: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -233.187660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.187660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.187660 (E_RNA)
where:
Base-Base interactions energy: -140.189
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.162
local terms energy: -92.836546
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -253.898465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.898465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.898465 (E_RNA)
where:
Base-Base interactions energy: -172.712
where: short stacking energy: -68.755
Base-Backbone interact. energy: -0.550
local terms energy: -80.637012
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -171.445304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.445304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.445304 (E_RNA)
where:
Base-Base interactions energy: -92.599
where: short stacking energy: -37.238
Base-Backbone interact. energy: -0.180
local terms energy: -78.665734
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -101.337316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.337316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.337316 (E_RNA)
where:
Base-Base interactions energy: -33.236
where: short stacking energy: -20.073
Base-Backbone interact. energy: 1.369
local terms energy: -69.470277
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: 2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -366.832969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.832969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.832969 (E_RNA)
where:
Base-Base interactions energy: -248.980
where: short stacking energy: -115.242
Base-Backbone interact. energy: -0.754
local terms energy: -117.098760
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -34.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -327.002181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.002181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.002181 (E_RNA)
where:
Base-Base interactions energy: -200.686
where: short stacking energy: -97.965
Base-Backbone interact. energy: -0.033
local terms energy: -126.282362
where:
bonds (distance) C4'-P energy: -25.074
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -30.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -299.628912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.628912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.628912 (E_RNA)
where:
Base-Base interactions energy: -195.522
where: short stacking energy: -83.980
Base-Backbone interact. energy: 0.339
local terms energy: -104.445001
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -296.615673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.615673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.615673 (E_RNA)
where:
Base-Base interactions energy: -189.931
where: short stacking energy: -84.474
Base-Backbone interact. energy: -0.353
local terms energy: -106.331505
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -274.611518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.611518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.611518 (E_RNA)
where:
Base-Base interactions energy: -179.291
where: short stacking energy: -86.262
Base-Backbone interact. energy: -0.265
local terms energy: -95.054729
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -248.054231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.054231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.054231 (E_RNA)
where:
Base-Base interactions energy: -149.691
where: short stacking energy: -71.671
Base-Backbone interact. energy: -0.968
local terms energy: -97.395475
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -14.358
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: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -233.356791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.356791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.356791 (E_RNA)
where:
Base-Base interactions energy: -145.000
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.155
local terms energy: -88.201349
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -221.671028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.671028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.671028 (E_RNA)
where:
Base-Base interactions energy: -130.087
where: short stacking energy: -62.408
Base-Backbone interact. energy: 0.172
local terms energy: -91.755522
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -181.480071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.480071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.480071 (E_RNA)
where:
Base-Base interactions energy: -104.501
where: short stacking energy: -39.342
Base-Backbone interact. energy: -0.964
local terms energy: -76.015797
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -105.206553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.206553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.206553 (E_RNA)
where:
Base-Base interactions energy: -44.042
where: short stacking energy: -29.265
Base-Backbone interact. energy: -0.868
local terms energy: -60.296752
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: 4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -368.219654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.219654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.219654 (E_RNA)
where:
Base-Base interactions energy: -247.276
where: short stacking energy: -108.854
Base-Backbone interact. energy: -0.361
local terms energy: -120.582288
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -34.066
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: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -340.319291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.319291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.319291 (E_RNA)
where:
Base-Base interactions energy: -217.478
where: short stacking energy: -94.255
Base-Backbone interact. energy: -0.552
local terms energy: -122.289383
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -30.421
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: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -320.792522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.792522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.792522 (E_RNA)
where:
Base-Base interactions energy: -204.954
where: short stacking energy: -103.953
Base-Backbone interact. energy: 3.598
local terms energy: -119.436378
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -31.393
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: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -296.389203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.389203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.389203 (E_RNA)
where:
Base-Base interactions energy: -191.709
where: short stacking energy: -89.716
Base-Backbone interact. energy: 0.097
local terms energy: -104.776390
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -19.007
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: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -264.928281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.928281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.928281 (E_RNA)
where:
Base-Base interactions energy: -172.819
where: short stacking energy: -74.769
Base-Backbone interact. energy: -1.061
local terms energy: -91.049034
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -15.358
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: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -249.418794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.418794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.418794 (E_RNA)
where:
Base-Base interactions energy: -145.950
where: short stacking energy: -74.953
Base-Backbone interact. energy: 1.083
local terms energy: -104.551848
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -238.144395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.144395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.144395 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.072
local terms energy: -92.177597
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -13.869
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: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -226.266955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.266955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.266955 (E_RNA)
where:
Base-Base interactions energy: -134.667
where: short stacking energy: -62.126
Base-Backbone interact. energy: 1.291
local terms energy: -92.891225
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -170.592182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.592182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.592182 (E_RNA)
where:
Base-Base interactions energy: -95.851
where: short stacking energy: -48.363
Base-Backbone interact. energy: -1.336
local terms energy: -73.405328
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -113.789392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.789392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.789392 (E_RNA)
where:
Base-Base interactions energy: -43.409
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.337
local terms energy: -70.042803
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: 1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -364.121297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.121297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.121297 (E_RNA)
where:
Base-Base interactions energy: -233.403
where: short stacking energy: -119.607
Base-Backbone interact. energy: 0.135
local terms energy: -130.853771
where:
bonds (distance) C4'-P energy: -27.312
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -35.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -314.262346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.262346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.262346 (E_RNA)
where:
Base-Base interactions energy: -196.821
where: short stacking energy: -97.806
Base-Backbone interact. energy: -0.800
local terms energy: -116.641478
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -27.843
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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -317.866623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.866623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.866623 (E_RNA)
where:
Base-Base interactions energy: -198.308
where: short stacking energy: -97.331
Base-Backbone interact. energy: -0.193
local terms energy: -119.366154
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -28.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -307.559473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.559473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.559473 (E_RNA)
where:
Base-Base interactions energy: -199.682
where: short stacking energy: -94.078
Base-Backbone interact. energy: -0.109
local terms energy: -107.769236
where:
bonds (distance) C4'-P energy: -24.754
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -24.679
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -25.884
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: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -248.735219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.735219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.735219 (E_RNA)
where:
Base-Base interactions energy: -157.273
where: short stacking energy: -75.548
Base-Backbone interact. energy: -0.373
local terms energy: -91.089751
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -10.653
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: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -270.392060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.392060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.392060 (E_RNA)
where:
Base-Base interactions energy: -170.927
where: short stacking energy: -89.357
Base-Backbone interact. energy: 1.491
local terms energy: -100.955326
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -25.379
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: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -265.802704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.802704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.802704 (E_RNA)
where:
Base-Base interactions energy: -172.749
where: short stacking energy: -88.451
Base-Backbone interact. energy: -0.061
local terms energy: -92.992367
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -197.069854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.069854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.069854 (E_RNA)
where:
Base-Base interactions energy: -120.254
where: short stacking energy: -57.639
Base-Backbone interact. energy: -1.046
local terms energy: -75.769334
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -4.787
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: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -221.145867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.145867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.145867 (E_RNA)
where:
Base-Base interactions energy: -148.292
where: short stacking energy: -61.815
Base-Backbone interact. energy: -0.183
local terms energy: -72.670651
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -102.606812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.606812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.606812 (E_RNA)
where:
Base-Base interactions energy: -38.671
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.065
local terms energy: -63.870791
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -368.813609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.813609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.813609 (E_RNA)
where:
Base-Base interactions energy: -247.606
where: short stacking energy: -119.486
Base-Backbone interact. energy: -0.061
local terms energy: -121.146420
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -34.862
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: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -332.650263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.650263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.650263 (E_RNA)
where:
Base-Base interactions energy: -214.302
where: short stacking energy: -107.846
Base-Backbone interact. energy: -0.673
local terms energy: -117.675128
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -29.136
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: 409
Temperature: 1.000000
Total energy: -301.018891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.018891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.018891 (E_RNA)
where:
Base-Base interactions energy: -192.210
where: short stacking energy: -94.622
Base-Backbone interact. energy: -1.098
local terms energy: -107.711177
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -313.813486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.813486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.813486 (E_RNA)
where:
Base-Base interactions energy: -206.685
where: short stacking energy: -92.673
Base-Backbone interact. energy: -0.134
local terms energy: -106.994321
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -259.717738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.717738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.717738 (E_RNA)
where:
Base-Base interactions energy: -158.640
where: short stacking energy: -89.185
Base-Backbone interact. energy: -0.062
local terms energy: -101.015871
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -23.621
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: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -226.646048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.646048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.646048 (E_RNA)
where:
Base-Base interactions energy: -143.405
where: short stacking energy: -77.079
Base-Backbone interact. energy: -0.081
local terms energy: -83.160455
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -14.593
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: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -250.734509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.734509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.734509 (E_RNA)
where:
Base-Base interactions energy: -152.482
where: short stacking energy: -81.082
Base-Backbone interact. energy: -0.204
local terms energy: -98.048714
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -21.003
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: 409
Temperature: 1.250000
Total energy: -219.293445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.293445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.293445 (E_RNA)
where:
Base-Base interactions energy: -128.617
where: short stacking energy: -50.401
Base-Backbone interact. energy: -0.165
local terms energy: -90.511946
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -191.051811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.051811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.051811 (E_RNA)
where:
Base-Base interactions energy: -113.210
where: short stacking energy: -50.429
Base-Backbone interact. energy: -0.266
local terms energy: -77.575597
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -111.816530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.816530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.816530 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -23.974
Base-Backbone interact. energy: -0.988
local terms energy: -79.168216
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -368.255459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.255459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.255459 (E_RNA)
where:
Base-Base interactions energy: -252.958
where: short stacking energy: -115.786
Base-Backbone interact. energy: -0.231
local terms energy: -115.067139
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -32.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -321.884880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.884880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.884880 (E_RNA)
where:
Base-Base interactions energy: -217.116
where: short stacking energy: -93.709
Base-Backbone interact. energy: -0.296
local terms energy: -104.473238
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -289.715398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.715398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.715398 (E_RNA)
where:
Base-Base interactions energy: -180.482
where: short stacking energy: -97.106
Base-Backbone interact. energy: -0.139
local terms energy: -109.094836
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -27.501
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -325.925544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.925544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.925544 (E_RNA)
where:
Base-Base interactions energy: -229.894
where: short stacking energy: -99.044
Base-Backbone interact. energy: -0.303
local terms energy: -95.728483
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -244.140940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.140940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.140940 (E_RNA)
where:
Base-Base interactions energy: -135.935
where: short stacking energy: -70.395
Base-Backbone interact. energy: -1.821
local terms energy: -106.384812
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -23.993
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -247.104901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.104901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.104901 (E_RNA)
where:
Base-Base interactions energy: -149.150
where: short stacking energy: -72.399
Base-Backbone interact. energy: -0.648
local terms energy: -97.307270
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -15.008
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: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -233.956279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.956279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.956279 (E_RNA)
where:
Base-Base interactions energy: -144.411
where: short stacking energy: -68.592
Base-Backbone interact. energy: -0.637
local terms energy: -88.908043
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -18.376
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: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -250.697924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.697924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.697924 (E_RNA)
where:
Base-Base interactions energy: -150.468
where: short stacking energy: -76.114
Base-Backbone interact. energy: -0.007
local terms energy: -100.223540
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -14.352
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: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -218.131690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.131690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.131690 (E_RNA)
where:
Base-Base interactions energy: -136.463
where: short stacking energy: -66.169
Base-Backbone interact. energy: -0.390
local terms energy: -81.279223
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -113.123739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.123739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.123739 (E_RNA)
where:
Base-Base interactions energy: -49.961
where: short stacking energy: -41.741
Base-Backbone interact. energy: 0.848
local terms energy: -64.010356
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -371.005737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.005737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.005737 (E_RNA)
where:
Base-Base interactions energy: -234.961
where: short stacking energy: -112.967
Base-Backbone interact. energy: -0.140
local terms energy: -135.904587
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -37.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -315.732795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.732795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.732795 (E_RNA)
where:
Base-Base interactions energy: -200.257
where: short stacking energy: -95.973
Base-Backbone interact. energy: -0.094
local terms energy: -115.382085
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -25.974
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: 411
Temperature: 1.000000
Total energy: -307.993660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.993660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.993660 (E_RNA)
where:
Base-Base interactions energy: -202.285
where: short stacking energy: -94.815
Base-Backbone interact. energy: -0.173
local terms energy: -105.536191
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -19.006
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -328.036884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.036884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.036884 (E_RNA)
where:
Base-Base interactions energy: -229.921
where: short stacking energy: -89.302
Base-Backbone interact. energy: 1.567
local terms energy: -99.682978
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -24.226
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -248.965198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.965198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.965198 (E_RNA)
where:
Base-Base interactions energy: -152.716
where: short stacking energy: -71.623
Base-Backbone interact. energy: -0.245
local terms energy: -96.004393
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -238.169741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.169741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.169741 (E_RNA)
where:
Base-Base interactions energy: -147.691
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.666
local terms energy: -89.813366
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -8.852
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: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -223.258608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.258608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.258608 (E_RNA)
where:
Base-Base interactions energy: -128.115
where: short stacking energy: -66.627
Base-Backbone interact. energy: -0.095
local terms energy: -95.048136
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -14.707
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: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -216.855604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.855604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.855604 (E_RNA)
where:
Base-Base interactions energy: -125.440
where: short stacking energy: -53.176
Base-Backbone interact. energy: -0.036
local terms energy: -91.379219
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -214.014015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.014015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.014015 (E_RNA)
where:
Base-Base interactions energy: -133.756
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.232
local terms energy: -80.026185
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -100.033966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.033966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.033966 (E_RNA)
where:
Base-Base interactions energy: -29.627
where: short stacking energy: -27.091
Base-Backbone interact. energy: -0.787
local terms energy: -69.619332
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -337.691236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.691236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.691236 (E_RNA)
where:
Base-Base interactions energy: -217.822
where: short stacking energy: -110.602
Base-Backbone interact. energy: -0.310
local terms energy: -119.559510
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -30.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -363.448936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.448936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.448936 (E_RNA)
where:
Base-Base interactions energy: -244.106
where: short stacking energy: -114.235
Base-Backbone interact. energy: -0.126
local terms energy: -119.216533
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -32.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -328.751131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.751131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.751131 (E_RNA)
where:
Base-Base interactions energy: -216.881
where: short stacking energy: -101.528
Base-Backbone interact. energy: -0.184
local terms energy: -111.685788
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -306.166403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.166403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.166403 (E_RNA)
where:
Base-Base interactions energy: -203.141
where: short stacking energy: -103.010
Base-Backbone interact. energy: -0.035
local terms energy: -102.989730
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -26.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -237.153187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.153187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.153187 (E_RNA)
where:
Base-Base interactions energy: -146.138
where: short stacking energy: -64.424
Base-Backbone interact. energy: -0.237
local terms energy: -90.778717
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -12.421
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: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -262.978830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.978830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.978830 (E_RNA)
where:
Base-Base interactions energy: -168.863
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.906
local terms energy: -93.209788
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -244.339291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.339291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.339291 (E_RNA)
where:
Base-Base interactions energy: -146.091
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.778
local terms energy: -97.470300
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -19.969
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: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -240.949254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.949254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.949254 (E_RNA)
where:
Base-Base interactions energy: -159.702
where: short stacking energy: -73.216
Base-Backbone interact. energy: 2.222
local terms energy: -83.469336
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -246.509831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.509831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.509831 (E_RNA)
where:
Base-Base interactions energy: -147.376
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.019
local terms energy: -99.115023
where:
bonds (distance) C4'-P energy: -23.844
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -23.369
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: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -104.963682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.963682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.963682 (E_RNA)
where:
Base-Base interactions energy: -29.606
where: short stacking energy: -27.656
Base-Backbone interact. energy: -1.419
local terms energy: -73.939277
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -16.883
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: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -331.613456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.613456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.613456 (E_RNA)
where:
Base-Base interactions energy: -213.131
where: short stacking energy: -107.414
Base-Backbone interact. energy: 0.164
local terms energy: -118.645995
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -33.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -363.113904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.113904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.113904 (E_RNA)
where:
Base-Base interactions energy: -246.340
where: short stacking energy: -110.167
Base-Backbone interact. energy: -0.250
local terms energy: -116.524674
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -37.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -311.367693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.367693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.367693 (E_RNA)
where:
Base-Base interactions energy: -211.299
where: short stacking energy: -88.344
Base-Backbone interact. energy: -0.032
local terms energy: -100.036704
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -291.694787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.694787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.694787 (E_RNA)
where:
Base-Base interactions energy: -179.293
where: short stacking energy: -86.130
Base-Backbone interact. energy: -0.585
local terms energy: -111.817423
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -23.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -253.135659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.135659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.135659 (E_RNA)
where:
Base-Base interactions energy: -165.204
where: short stacking energy: -78.807
Base-Backbone interact. energy: -1.933
local terms energy: -85.998358
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -11.758
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: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -280.558091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.558091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.558091 (E_RNA)
where:
Base-Base interactions energy: -176.499
where: short stacking energy: -92.227
Base-Backbone interact. energy: -0.308
local terms energy: -103.751128
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -22.283
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: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -224.206505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.206505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.206505 (E_RNA)
where:
Base-Base interactions energy: -140.289
where: short stacking energy: -65.678
Base-Backbone interact. energy: -0.063
local terms energy: -83.854065
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -226.187112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.187112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.187112 (E_RNA)
where:
Base-Base interactions energy: -152.021
where: short stacking energy: -72.594
Base-Backbone interact. energy: 0.349
local terms energy: -74.514782
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -218.056075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.056075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.056075 (E_RNA)
where:
Base-Base interactions energy: -132.505
where: short stacking energy: -69.809
Base-Backbone interact. energy: -0.120
local terms energy: -85.431022
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -113.141150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.141150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.141150 (E_RNA)
where:
Base-Base interactions energy: -44.778
where: short stacking energy: -27.916
Base-Backbone interact. energy: -0.942
local terms energy: -67.421455
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -4.032
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: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -371.769978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.769978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.769978 (E_RNA)
where:
Base-Base interactions energy: -250.931
where: short stacking energy: -106.849
Base-Backbone interact. energy: -0.199
local terms energy: -120.639067
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -26.783
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -34.534
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: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -316.035127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.035127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.035127 (E_RNA)
where:
Base-Base interactions energy: -214.775
where: short stacking energy: -97.079
Base-Backbone interact. energy: 0.008
local terms energy: -101.268384
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -295.443151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.443151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.443151 (E_RNA)
where:
Base-Base interactions energy: -187.418
where: short stacking energy: -96.612
Base-Backbone interact. energy: -0.538
local terms energy: -107.487073
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -25.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -301.949642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.949642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.949642 (E_RNA)
where:
Base-Base interactions energy: -195.646
where: short stacking energy: -100.304
Base-Backbone interact. energy: 1.225
local terms energy: -107.527998
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -290.482825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.482825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.482825 (E_RNA)
where:
Base-Base interactions energy: -188.596
where: short stacking energy: -92.117
Base-Backbone interact. energy: -0.212
local terms energy: -101.674848
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -25.589
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: 414
Temperature: 1.150000
Total energy: -238.211710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.211710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.211710 (E_RNA)
where:
Base-Base interactions energy: -132.784
where: short stacking energy: -66.209
Base-Backbone interact. energy: -0.600
local terms energy: -104.827585
where:
bonds (distance) C4'-P energy: -27.232
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -215.182550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.182550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.182550 (E_RNA)
where:
Base-Base interactions energy: -138.815
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.349
local terms energy: -76.018185
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -8.887
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: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -224.881948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.881948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.881948 (E_RNA)
where:
Base-Base interactions energy: -135.685
where: short stacking energy: -66.999
Base-Backbone interact. energy: 0.473
local terms energy: -89.670066
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -12.647
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: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -215.984206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.984206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.984206 (E_RNA)
where:
Base-Base interactions energy: -140.265
where: short stacking energy: -58.677
Base-Backbone interact. energy: -0.719
local terms energy: -75.000052
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -8.630
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: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -118.082302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.082302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.082302 (E_RNA)
where:
Base-Base interactions energy: -40.440
where: short stacking energy: -27.770
Base-Backbone interact. energy: 0.851
local terms energy: -78.492935
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -364.318361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.318361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.318361 (E_RNA)
where:
Base-Base interactions energy: -242.196
where: short stacking energy: -108.397
Base-Backbone interact. energy: -0.142
local terms energy: -121.980769
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -32.970
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: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -329.098337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.098337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.098337 (E_RNA)
where:
Base-Base interactions energy: -209.264
where: short stacking energy: -102.379
Base-Backbone interact. energy: 1.088
local terms energy: -120.922608
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -303.848329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.848329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.848329 (E_RNA)
where:
Base-Base interactions energy: -190.690
where: short stacking energy: -91.264
Base-Backbone interact. energy: 0.264
local terms energy: -113.422379
where:
bonds (distance) C4'-P energy: -25.574
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -293.102329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.102329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.102329 (E_RNA)
where:
Base-Base interactions energy: -186.289
where: short stacking energy: -94.004
Base-Backbone interact. energy: -0.249
local terms energy: -106.564437
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -19.728
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: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -269.374348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.374348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.374348 (E_RNA)
where:
Base-Base interactions energy: -163.633
where: short stacking energy: -82.959
Base-Backbone interact. energy: -0.217
local terms energy: -105.524420
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -21.756
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: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -258.648999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.648999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.648999 (E_RNA)
where:
Base-Base interactions energy: -154.114
where: short stacking energy: -75.665
Base-Backbone interact. energy: -0.173
local terms energy: -104.361802
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -27.274
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -23.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -237.591554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.591554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.591554 (E_RNA)
where:
Base-Base interactions energy: -147.796
where: short stacking energy: -77.575
Base-Backbone interact. energy: -0.399
local terms energy: -89.397062
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -25.816
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -17.074
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: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -216.501537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.501537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.501537 (E_RNA)
where:
Base-Base interactions energy: -123.212
where: short stacking energy: -64.025
Base-Backbone interact. energy: -0.103
local terms energy: -93.186929
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -22.661
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -182.012664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.012664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.012664 (E_RNA)
where:
Base-Base interactions energy: -93.506
where: short stacking energy: -51.765
Base-Backbone interact. energy: 0.783
local terms energy: -89.290045
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -0.446
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: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -104.767285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.767285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.767285 (E_RNA)
where:
Base-Base interactions energy: -30.889
where: short stacking energy: -30.889
Base-Backbone interact. energy: -0.242
local terms energy: -73.636576
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -356.000153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.000153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.000153 (E_RNA)
where:
Base-Base interactions energy: -237.332
where: short stacking energy: -106.150
Base-Backbone interact. energy: 1.777
local terms energy: -120.445143
where:
bonds (distance) C4'-P energy: -26.346
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -31.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -331.317421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.317421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.317421 (E_RNA)
where:
Base-Base interactions energy: -214.856
where: short stacking energy: -98.683
Base-Backbone interact. energy: 2.711
local terms energy: -119.172869
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -31.086
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: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -288.322810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.322810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.322810 (E_RNA)
where:
Base-Base interactions energy: -186.202
where: short stacking energy: -84.834
Base-Backbone interact. energy: -0.828
local terms energy: -101.292374
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -16.943
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: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -299.964718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.964718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.964718 (E_RNA)
where:
Base-Base interactions energy: -194.424
where: short stacking energy: -91.306
Base-Backbone interact. energy: -0.550
local terms energy: -104.990350
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -25.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -249.937278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.937278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.937278 (E_RNA)
where:
Base-Base interactions energy: -169.259
where: short stacking energy: -84.169
Base-Backbone interact. energy: -1.112
local terms energy: -79.566616
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.115
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: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -245.858654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.858654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.858654 (E_RNA)
where:
Base-Base interactions energy: -141.750
where: short stacking energy: -80.303
Base-Backbone interact. energy: -0.460
local terms energy: -103.648968
where:
bonds (distance) C4'-P energy: -21.819
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -15.323
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: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -237.707021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.707021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.707021 (E_RNA)
where:
Base-Base interactions energy: -146.692
where: short stacking energy: -68.189
Base-Backbone interact. energy: 1.205
local terms energy: -92.220001
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -182.261368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.261368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.261368 (E_RNA)
where:
Base-Base interactions energy: -102.625
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.180
local terms energy: -79.456763
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -120.461186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.461186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.461186 (E_RNA)
where:
Base-Base interactions energy: -48.246
where: short stacking energy: -35.209
Base-Backbone interact. energy: 0.401
local terms energy: -72.616552
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -190.162266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.162266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.162266 (E_RNA)
where:
Base-Base interactions energy: -114.687
where: short stacking energy: -52.377
Base-Backbone interact. energy: 0.105
local terms energy: -75.580045
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -5.923
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: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -354.529159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.529159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.529159 (E_RNA)
where:
Base-Base interactions energy: -233.745
where: short stacking energy: -99.185
Base-Backbone interact. energy: -0.059
local terms energy: -120.725479
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -31.378
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: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -325.196470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.196470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.196470 (E_RNA)
where:
Base-Base interactions energy: -223.784
where: short stacking energy: -98.271
Base-Backbone interact. energy: 1.160
local terms energy: -102.572789
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -303.173036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.173036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.173036 (E_RNA)
where:
Base-Base interactions energy: -197.325
where: short stacking energy: -95.144
Base-Backbone interact. energy: -0.892
local terms energy: -104.956409
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -313.034065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.034065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.034065 (E_RNA)
where:
Base-Base interactions energy: -207.491
where: short stacking energy: -100.807
Base-Backbone interact. energy: 0.101
local terms energy: -105.644322
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -31.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -239.464058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.464058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.464058 (E_RNA)
where:
Base-Base interactions energy: -141.972
where: short stacking energy: -66.799
Base-Backbone interact. energy: -1.000
local terms energy: -96.492438
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -17.763
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: 417
Temperature: 1.150000
Total energy: -253.629391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.629391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.629391 (E_RNA)
where:
Base-Base interactions energy: -159.822
where: short stacking energy: -76.592
Base-Backbone interact. energy: 0.309
local terms energy: -94.115988
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -24.857
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -234.421094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.421094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.421094 (E_RNA)
where:
Base-Base interactions energy: -144.928
where: short stacking energy: -79.413
Base-Backbone interact. energy: -0.513
local terms energy: -88.980677
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -218.688257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.688257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.688257 (E_RNA)
where:
Base-Base interactions energy: -135.697
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.712
local terms energy: -82.278976
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -146.598046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.598046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.598046 (E_RNA)
where:
Base-Base interactions energy: -79.410
where: short stacking energy: -46.194
Base-Backbone interact. energy: -0.444
local terms energy: -66.744606
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -183.563945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.563945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.563945 (E_RNA)
where:
Base-Base interactions energy: -106.580
where: short stacking energy: -47.886
Base-Backbone interact. energy: -0.595
local terms energy: -76.389731
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -333.231259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.231259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.231259 (E_RNA)
where:
Base-Base interactions energy: -220.247
where: short stacking energy: -106.070
Base-Backbone interact. energy: 1.680
local terms energy: -114.664787
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -27.306
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: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -366.116006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.116006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.116006 (E_RNA)
where:
Base-Base interactions energy: -244.417
where: short stacking energy: -112.458
Base-Backbone interact. energy: 0.138
local terms energy: -121.837013
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -33.466
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: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -316.871693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.871693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.871693 (E_RNA)
where:
Base-Base interactions energy: -205.325
where: short stacking energy: -100.363
Base-Backbone interact. energy: 0.538
local terms energy: -112.084692
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -29.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -314.808718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.808718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.808718 (E_RNA)
where:
Base-Base interactions energy: -204.781
where: short stacking energy: -100.471
Base-Backbone interact. energy: -0.204
local terms energy: -109.824220
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -29.425
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: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -252.049051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.049051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.049051 (E_RNA)
where:
Base-Base interactions energy: -148.574
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.220
local terms energy: -103.255042
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -276.754844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.754844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.754844 (E_RNA)
where:
Base-Base interactions energy: -176.122
where: short stacking energy: -86.630
Base-Backbone interact. energy: -0.443
local terms energy: -100.189931
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -21.962
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: 418
Temperature: 1.200000
Total energy: -228.733362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.733362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.733362 (E_RNA)
where:
Base-Base interactions energy: -140.610
where: short stacking energy: -58.923
Base-Backbone interact. energy: -0.116
local terms energy: -88.007440
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -234.645823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.645823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.645823 (E_RNA)
where:
Base-Base interactions energy: -143.629
where: short stacking energy: -71.297
Base-Backbone interact. energy: 0.444
local terms energy: -91.460674
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -9.382
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: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -201.253345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.253345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.253345 (E_RNA)
where:
Base-Base interactions energy: -115.717
where: short stacking energy: -62.563
Base-Backbone interact. energy: -0.094
local terms energy: -85.442424
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -14.312
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: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -112.498821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.498821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.498821 (E_RNA)
where:
Base-Base interactions energy: -40.736
where: short stacking energy: -33.816
Base-Backbone interact. energy: -0.253
local terms energy: -71.509578
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -13.821
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: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -336.596921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.596921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.596921 (E_RNA)
where:
Base-Base interactions energy: -219.232
where: short stacking energy: -106.693
Base-Backbone interact. energy: 1.456
local terms energy: -118.821731
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -32.672
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: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -318.189654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.189654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.189654 (E_RNA)
where:
Base-Base interactions energy: -209.350
where: short stacking energy: -91.103
Base-Backbone interact. energy: -0.034
local terms energy: -108.805783
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -345.483832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.483832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.483832 (E_RNA)
where:
Base-Base interactions energy: -237.173
where: short stacking energy: -104.089
Base-Backbone interact. energy: 1.400
local terms energy: -109.710814
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -29.692
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: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -305.899901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.899901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.899901 (E_RNA)
where:
Base-Base interactions energy: -197.913
where: short stacking energy: -95.046
Base-Backbone interact. energy: 0.864
local terms energy: -108.850964
where:
bonds (distance) C4'-P energy: -22.034
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -266.629355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.629355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.629355 (E_RNA)
where:
Base-Base interactions energy: -166.484
where: short stacking energy: -83.860
Base-Backbone interact. energy: 0.235
local terms energy: -100.380499
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -253.014353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.014353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.014353 (E_RNA)
where:
Base-Base interactions energy: -161.729
where: short stacking energy: -83.690
Base-Backbone interact. energy: -0.017
local terms energy: -91.268637
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -266.764960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.764960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.764960 (E_RNA)
where:
Base-Base interactions energy: -167.612
where: short stacking energy: -83.761
Base-Backbone interact. energy: -0.088
local terms energy: -99.065201
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -211.894275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.894275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.894275 (E_RNA)
where:
Base-Base interactions energy: -125.468
where: short stacking energy: -68.568
Base-Backbone interact. energy: -0.119
local terms energy: -86.307642
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -211.694751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.694751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.694751 (E_RNA)
where:
Base-Base interactions energy: -127.651
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.073
local terms energy: -83.970139
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -112.118571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.118571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.118571 (E_RNA)
where:
Base-Base interactions energy: -37.979
where: short stacking energy: -37.145
Base-Backbone interact. energy: -0.624
local terms energy: -73.514739
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -327.915175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.915175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.915175 (E_RNA)
where:
Base-Base interactions energy: -214.818
where: short stacking energy: -106.777
Base-Backbone interact. energy: 1.452
local terms energy: -114.549517
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -325.278510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.278510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.278510 (E_RNA)
where:
Base-Base interactions energy: -220.935
where: short stacking energy: -99.433
Base-Backbone interact. energy: 1.580
local terms energy: -105.923526
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -341.213149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.213149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.213149 (E_RNA)
where:
Base-Base interactions energy: -230.898
where: short stacking energy: -102.830
Base-Backbone interact. energy: -0.414
local terms energy: -109.901175
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -24.459
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -30.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -302.581693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.581693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.581693 (E_RNA)
where:
Base-Base interactions energy: -194.411
where: short stacking energy: -92.562
Base-Backbone interact. energy: -0.157
local terms energy: -108.014554
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -260.484322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.484322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.484322 (E_RNA)
where:
Base-Base interactions energy: -163.509
where: short stacking energy: -79.442
Base-Backbone interact. energy: -0.314
local terms energy: -96.661039
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -21.756
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: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -246.738383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.738383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.738383 (E_RNA)
where:
Base-Base interactions energy: -154.591
where: short stacking energy: -79.789
Base-Backbone interact. energy: -0.877
local terms energy: -91.270194
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -214.390013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.390013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.390013 (E_RNA)
where:
Base-Base interactions energy: -132.728
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.434
local terms energy: -81.227786
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -259.268805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.268805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.268805 (E_RNA)
where:
Base-Base interactions energy: -161.968
where: short stacking energy: -75.083
Base-Backbone interact. energy: 0.857
local terms energy: -98.157893
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -23.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -206.892192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.892192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.892192 (E_RNA)
where:
Base-Base interactions energy: -119.227
where: short stacking energy: -47.891
Base-Backbone interact. energy: -0.112
local terms energy: -87.552867
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -102.634920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.634920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.634920 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -20.260
Base-Backbone interact. energy: 0.366
local terms energy: -63.303025
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -327.110646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.110646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.110646 (E_RNA)
where:
Base-Base interactions energy: -206.173
where: short stacking energy: -104.204
Base-Backbone interact. energy: -0.245
local terms energy: -120.692517
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -34.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -358.548553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.548553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.548553 (E_RNA)
where:
Base-Base interactions energy: -243.082
where: short stacking energy: -113.396
Base-Backbone interact. energy: -0.054
local terms energy: -115.412006
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -34.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -319.192064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.192064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.192064 (E_RNA)
where:
Base-Base interactions energy: -207.500
where: short stacking energy: -99.604
Base-Backbone interact. energy: 2.292
local terms energy: -113.983777
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -17.941
tors. eta vs tors. theta energy: -23.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -299.104024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.104024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.104024 (E_RNA)
where:
Base-Base interactions energy: -195.702
where: short stacking energy: -91.888
Base-Backbone interact. energy: -0.088
local terms energy: -103.313951
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -24.825
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: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -259.571863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.571863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.571863 (E_RNA)
where:
Base-Base interactions energy: -157.459
where: short stacking energy: -74.910
Base-Backbone interact. energy: -0.133
local terms energy: -101.979820
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -18.778
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: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -242.598536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.598536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.598536 (E_RNA)
where:
Base-Base interactions energy: -140.862
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.349
local terms energy: -101.387283
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -21.575
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: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -232.194238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.194238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.194238 (E_RNA)
where:
Base-Base interactions energy: -156.269
where: short stacking energy: -72.552
Base-Backbone interact. energy: -0.767
local terms energy: -75.158592
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -202.103659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.103659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.103659 (E_RNA)
where:
Base-Base interactions energy: -116.938
where: short stacking energy: -54.235
Base-Backbone interact. energy: 0.494
local terms energy: -85.659607
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -12.252
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: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -225.259873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.259873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.259873 (E_RNA)
where:
Base-Base interactions energy: -139.294
where: short stacking energy: -59.752
Base-Backbone interact. energy: -0.282
local terms energy: -85.684380
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -100.943588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.943588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.943588 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.741
local terms energy: -60.095422
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -372.692505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.692505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.692505 (E_RNA)
where:
Base-Base interactions energy: -245.388
where: short stacking energy: -113.715
Base-Backbone interact. energy: 0.452
local terms energy: -127.756980
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -26.484
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -39.180
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: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -313.773145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.773145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.773145 (E_RNA)
where:
Base-Base interactions energy: -189.591
where: short stacking energy: -98.042
Base-Backbone interact. energy: -0.013
local terms energy: -124.169117
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -33.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -305.433880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.433880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.433880 (E_RNA)
where:
Base-Base interactions energy: -199.584
where: short stacking energy: -104.694
Base-Backbone interact. energy: -0.173
local terms energy: -105.676708
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -30.577
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: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -303.124437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.124437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.124437 (E_RNA)
where:
Base-Base interactions energy: -197.912
where: short stacking energy: -99.200
Base-Backbone interact. energy: -0.056
local terms energy: -105.156073
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -28.348
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: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -254.748604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.748604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.748604 (E_RNA)
where:
Base-Base interactions energy: -150.418
where: short stacking energy: -70.639
Base-Backbone interact. energy: 0.149
local terms energy: -104.479449
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -262.454089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.454089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.454089 (E_RNA)
where:
Base-Base interactions energy: -166.695
where: short stacking energy: -95.089
Base-Backbone interact. energy: -0.246
local terms energy: -95.513538
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -234.291899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.291899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.291899 (E_RNA)
where:
Base-Base interactions energy: -148.937
where: short stacking energy: -81.286
Base-Backbone interact. energy: -0.062
local terms energy: -85.292858
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -24.361
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -13.273
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -211.334656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.334656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.334656 (E_RNA)
where:
Base-Base interactions energy: -136.396
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.527
local terms energy: -74.412194
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -12.228
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: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -220.468190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.468190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.468190 (E_RNA)
where:
Base-Base interactions energy: -132.524
where: short stacking energy: -60.040
Base-Backbone interact. energy: -0.103
local terms energy: -87.841196
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -110.143024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.143024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.143024 (E_RNA)
where:
Base-Base interactions energy: -46.872
where: short stacking energy: -46.872
Base-Backbone interact. energy: -0.308
local terms energy: -62.962723
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -359.696258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.696258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.696258 (E_RNA)
where:
Base-Base interactions energy: -246.023
where: short stacking energy: -99.621
Base-Backbone interact. energy: -0.898
local terms energy: -112.774380
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -28.904
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: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -320.676537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.676537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.676537 (E_RNA)
where:
Base-Base interactions energy: -202.701
where: short stacking energy: -99.382
Base-Backbone interact. energy: -0.098
local terms energy: -117.877555
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -28.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -280.161987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.161987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.161987 (E_RNA)
where:
Base-Base interactions energy: -172.738
where: short stacking energy: -71.075
Base-Backbone interact. energy: -0.778
local terms energy: -106.646542
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -299.761874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.761874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.761874 (E_RNA)
where:
Base-Base interactions energy: -191.602
where: short stacking energy: -98.908
Base-Backbone interact. energy: -0.080
local terms energy: -108.079352
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -257.268367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.268367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.268367 (E_RNA)
where:
Base-Base interactions energy: -164.131
where: short stacking energy: -78.445
Base-Backbone interact. energy: -0.150
local terms energy: -92.987640
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -242.998310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.998310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.998310 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -76.848
Base-Backbone interact. energy: -0.393
local terms energy: -92.879220
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -230.647532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.647532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.647532 (E_RNA)
where:
Base-Base interactions energy: -144.488
where: short stacking energy: -69.856
Base-Backbone interact. energy: 0.473
local terms energy: -86.632512
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -228.714032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.714032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.714032 (E_RNA)
where:
Base-Base interactions energy: -156.884
where: short stacking energy: -61.377
Base-Backbone interact. energy: -1.555
local terms energy: -70.275324
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -211.229846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.229846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.229846 (E_RNA)
where:
Base-Base interactions energy: -123.287
where: short stacking energy: -58.171
Base-Backbone interact. energy: -0.053
local terms energy: -87.889973
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -105.811291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.811291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.811291 (E_RNA)
where:
Base-Base interactions energy: -31.897
where: short stacking energy: -29.581
Base-Backbone interact. energy: -0.637
local terms energy: -73.277355
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -371.273768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.273768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.273768 (E_RNA)
where:
Base-Base interactions energy: -248.813
where: short stacking energy: -98.931
Base-Backbone interact. energy: -0.012
local terms energy: -122.448793
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -31.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -321.496695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.496695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.496695 (E_RNA)
where:
Base-Base interactions energy: -200.603
where: short stacking energy: -98.042
Base-Backbone interact. energy: 0.379
local terms energy: -121.271992
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -313.083870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.083870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.083870 (E_RNA)
where:
Base-Base interactions energy: -194.604
where: short stacking energy: -94.423
Base-Backbone interact. energy: -0.022
local terms energy: -118.457878
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -29.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -307.933101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.933101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.933101 (E_RNA)
where:
Base-Base interactions energy: -201.997
where: short stacking energy: -94.205
Base-Backbone interact. energy: 1.162
local terms energy: -107.098212
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -29.383
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: 424
Temperature: 1.100000
Total energy: -251.937237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.937237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.937237 (E_RNA)
where:
Base-Base interactions energy: -159.329
where: short stacking energy: -78.679
Base-Backbone interact. energy: -0.200
local terms energy: -92.408630
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -236.787805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.787805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.787805 (E_RNA)
where:
Base-Base interactions energy: -138.725
where: short stacking energy: -62.075
Base-Backbone interact. energy: -0.098
local terms energy: -97.964492
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -231.356249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.356249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.356249 (E_RNA)
where:
Base-Base interactions energy: -145.785
where: short stacking energy: -65.073
Base-Backbone interact. energy: -0.448
local terms energy: -85.123187
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -231.954407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.954407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.954407 (E_RNA)
where:
Base-Base interactions energy: -140.404
where: short stacking energy: -66.588
Base-Backbone interact. energy: -0.496
local terms energy: -91.053734
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -222.965450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.965450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.965450 (E_RNA)
where:
Base-Base interactions energy: -132.553
where: short stacking energy: -77.103
Base-Backbone interact. energy: -0.372
local terms energy: -90.040158
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -103.576371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.576371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.576371 (E_RNA)
where:
Base-Base interactions energy: -39.330
where: short stacking energy: -38.489
Base-Backbone interact. energy: -0.393
local terms energy: -63.853301
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: 0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -359.666539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.666539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.666539 (E_RNA)
where:
Base-Base interactions energy: -244.259
where: short stacking energy: -90.116
Base-Backbone interact. energy: -0.640
local terms energy: -114.767593
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -24.930
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -322.378191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.378191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.378191 (E_RNA)
where:
Base-Base interactions energy: -207.508
where: short stacking energy: -94.943
Base-Backbone interact. energy: -0.083
local terms energy: -114.787645
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -26.719
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -29.897
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: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -307.468498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.468498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.468498 (E_RNA)
where:
Base-Base interactions energy: -194.326
where: short stacking energy: -96.302
Base-Backbone interact. energy: -0.003
local terms energy: -113.139515
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -29.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -301.762540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.762540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.762540 (E_RNA)
where:
Base-Base interactions energy: -195.993
where: short stacking energy: -91.568
Base-Backbone interact. energy: -0.251
local terms energy: -105.518296
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -270.145229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.145229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.145229 (E_RNA)
where:
Base-Base interactions energy: -156.004
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.094
local terms energy: -114.046290
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -25.225
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: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -242.114117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.114117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.114117 (E_RNA)
where:
Base-Base interactions energy: -152.631
where: short stacking energy: -70.546
Base-Backbone interact. energy: -0.549
local terms energy: -88.934484
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -14.185
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: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -238.554471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.554471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.554471 (E_RNA)
where:
Base-Base interactions energy: -148.862
where: short stacking energy: -68.989
Base-Backbone interact. energy: -0.140
local terms energy: -89.552757
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -9.375
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: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -220.797450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.797450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.797450 (E_RNA)
where:
Base-Base interactions energy: -145.530
where: short stacking energy: -70.332
Base-Backbone interact. energy: 0.925
local terms energy: -76.192123
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -5.248
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: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -217.016874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.016874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.016874 (E_RNA)
where:
Base-Base interactions energy: -127.169
where: short stacking energy: -64.974
Base-Backbone interact. energy: 0.230
local terms energy: -90.078299
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -114.680208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.680208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.680208 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -30.602
Base-Backbone interact. energy: -0.435
local terms energy: -71.201143
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -5.425
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: 426
Temperature: 0.900000
Total energy: -359.052379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.052379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.052379 (E_RNA)
where:
Base-Base interactions energy: -243.858
where: short stacking energy: -96.866
Base-Backbone interact. energy: -0.349
local terms energy: -114.845640
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -27.500
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: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -325.361623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.361623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.361623 (E_RNA)
where:
Base-Base interactions energy: -206.377
where: short stacking energy: -113.139
Base-Backbone interact. energy: 0.653
local terms energy: -119.637647
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -28.898
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -35.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -301.626435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.626435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.626435 (E_RNA)
where:
Base-Base interactions energy: -191.824
where: short stacking energy: -93.401
Base-Backbone interact. energy: 0.053
local terms energy: -109.855403
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: -28.302
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: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -321.072962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.072962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.072962 (E_RNA)
where:
Base-Base interactions energy: -197.548
where: short stacking energy: -99.248
Base-Backbone interact. energy: -0.125
local terms energy: -123.399472
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -31.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -247.125706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.125706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.125706 (E_RNA)
where:
Base-Base interactions energy: -147.364
where: short stacking energy: -77.716
Base-Backbone interact. energy: 1.687
local terms energy: -101.448293
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -14.047
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: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -237.510435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.510435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.510435 (E_RNA)
where:
Base-Base interactions energy: -149.989
where: short stacking energy: -81.833
Base-Backbone interact. energy: 0.044
local terms energy: -87.565739
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -235.801997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.801997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.801997 (E_RNA)
where:
Base-Base interactions energy: -144.801
where: short stacking energy: -71.794
Base-Backbone interact. energy: -0.113
local terms energy: -90.887986
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -233.223753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.223753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.223753 (E_RNA)
where:
Base-Base interactions energy: -148.817
where: short stacking energy: -67.366
Base-Backbone interact. energy: 1.238
local terms energy: -85.644932
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -8.742
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: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -212.652898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.652898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.652898 (E_RNA)
where:
Base-Base interactions energy: -124.041
where: short stacking energy: -60.289
Base-Backbone interact. energy: -1.670
local terms energy: -86.941992
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -25.519
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -14.951
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: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -117.848528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.848528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.848528 (E_RNA)
where:
Base-Base interactions energy: -40.928
where: short stacking energy: -38.855
Base-Backbone interact. energy: 1.737
local terms energy: -78.657408
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -12.809
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: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -355.672483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.672483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.672483 (E_RNA)
where:
Base-Base interactions energy: -242.858
where: short stacking energy: -101.289
Base-Backbone interact. energy: -0.388
local terms energy: -112.427112
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -28.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -314.147369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.147369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.147369 (E_RNA)
where:
Base-Base interactions energy: -202.239
where: short stacking energy: -99.244
Base-Backbone interact. energy: -0.455
local terms energy: -111.452571
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -25.454
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: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -306.437434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.437434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.437434 (E_RNA)
where:
Base-Base interactions energy: -195.535
where: short stacking energy: -99.687
Base-Backbone interact. energy: -0.014
local terms energy: -110.888735
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -26.060
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: 427
Temperature: 1.050000
Total energy: -313.662600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.662600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.662600 (E_RNA)
where:
Base-Base interactions energy: -200.876
where: short stacking energy: -99.072
Base-Backbone interact. energy: -0.111
local terms energy: -112.675287
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -24.491
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -32.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -250.278683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.278683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.278683 (E_RNA)
where:
Base-Base interactions energy: -160.836
where: short stacking energy: -81.927
Base-Backbone interact. energy: -0.071
local terms energy: -89.371527
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -232.288815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.288815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.288815 (E_RNA)
where:
Base-Base interactions energy: -130.949
where: short stacking energy: -69.492
Base-Backbone interact. energy: -0.139
local terms energy: -101.200986
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: -11.749
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: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -189.827702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.827702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.827702 (E_RNA)
where:
Base-Base interactions energy: -106.838
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.199
local terms energy: -82.791108
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -12.341
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: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -223.354970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.354970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.354970 (E_RNA)
where:
Base-Base interactions energy: -127.869
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.436
local terms energy: -95.049339
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -10.177
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: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -197.426358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.426358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.426358 (E_RNA)
where:
Base-Base interactions energy: -110.538
where: short stacking energy: -56.087
Base-Backbone interact. energy: 0.942
local terms energy: -87.829821
where:
bonds (distance) C4'-P energy: -26.488
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -111.895447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.895447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.895447 (E_RNA)
where:
Base-Base interactions energy: -43.731
where: short stacking energy: -30.245
Base-Backbone interact. energy: 0.019
local terms energy: -68.184118
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -349.216791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.216791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.216791 (E_RNA)
where:
Base-Base interactions energy: -239.945
where: short stacking energy: -98.416
Base-Backbone interact. energy: 0.016
local terms energy: -109.288222
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -316.901663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.901663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.901663 (E_RNA)
where:
Base-Base interactions energy: -199.949
where: short stacking energy: -97.635
Base-Backbone interact. energy: -0.107
local terms energy: -116.846192
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -27.397
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: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -310.130907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.130907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.130907 (E_RNA)
where:
Base-Base interactions energy: -190.389
where: short stacking energy: -101.321
Base-Backbone interact. energy: -0.241
local terms energy: -119.501417
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -30.034
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: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -299.356925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.356925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.356925 (E_RNA)
where:
Base-Base interactions energy: -184.962
where: short stacking energy: -83.407
Base-Backbone interact. energy: -0.024
local terms energy: -114.371256
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -249.339023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.339023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.339023 (E_RNA)
where:
Base-Base interactions energy: -146.215
where: short stacking energy: -75.963
Base-Backbone interact. energy: -0.153
local terms energy: -102.971986
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -18.881
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: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -264.277537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.277537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.277537 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -82.223
Base-Backbone interact. energy: -0.158
local terms energy: -98.734506
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -25.840
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: 428
Temperature: 1.200000
Total energy: -235.349100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.349100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.349100 (E_RNA)
where:
Base-Base interactions energy: -145.157
where: short stacking energy: -76.936
Base-Backbone interact. energy: 0.320
local terms energy: -90.512070
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -21.395
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: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -201.781303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.781303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.781303 (E_RNA)
where:
Base-Base interactions energy: -112.297
where: short stacking energy: -56.927
Base-Backbone interact. energy: 0.411
local terms energy: -89.895019
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -222.751432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.751432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.751432 (E_RNA)
where:
Base-Base interactions energy: -131.036
where: short stacking energy: -54.388
Base-Backbone interact. energy: -0.516
local terms energy: -91.199935
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -10.244
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: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -106.575983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.575983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.575983 (E_RNA)
where:
Base-Base interactions energy: -42.938
where: short stacking energy: -34.640
Base-Backbone interact. energy: -0.412
local terms energy: -63.225755
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: 2.104
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: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -358.394304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.394304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.394304 (E_RNA)
where:
Base-Base interactions energy: -240.403
where: short stacking energy: -93.767
Base-Backbone interact. energy: -0.196
local terms energy: -117.794879
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -27.698
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -313.981981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.981981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.981981 (E_RNA)
where:
Base-Base interactions energy: -198.799
where: short stacking energy: -80.299
Base-Backbone interact. energy: -0.182
local terms energy: -115.000749
where:
bonds (distance) C4'-P energy: -24.439
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -315.815660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.815660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.815660 (E_RNA)
where:
Base-Base interactions energy: -202.689
where: short stacking energy: -102.067
Base-Backbone interact. energy: -0.348
local terms energy: -112.779204
where:
bonds (distance) C4'-P energy: -24.811
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -29.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -294.845267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.845267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.845267 (E_RNA)
where:
Base-Base interactions energy: -182.177
where: short stacking energy: -88.165
Base-Backbone interact. energy: -0.343
local terms energy: -112.325164
where:
bonds (distance) C4'-P energy: -23.305
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -29.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -250.749237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.749237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.749237 (E_RNA)
where:
Base-Base interactions energy: -154.882
where: short stacking energy: -73.933
Base-Backbone interact. energy: -0.825
local terms energy: -95.042822
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -246.544554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.544554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.544554 (E_RNA)
where:
Base-Base interactions energy: -159.067
where: short stacking energy: -75.764
Base-Backbone interact. energy: -0.222
local terms energy: -87.255364
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -258.165996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.165996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.165996 (E_RNA)
where:
Base-Base interactions energy: -159.192
where: short stacking energy: -75.299
Base-Backbone interact. energy: -0.921
local terms energy: -98.053449
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -13.604
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: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -225.696132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.696132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.696132 (E_RNA)
where:
Base-Base interactions energy: -138.690
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.183
local terms energy: -86.822767
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -14.865
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: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -227.243138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.243138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.243138 (E_RNA)
where:
Base-Base interactions energy: -139.581
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.281
local terms energy: -87.381772
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -11.706
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: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -118.277030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.277030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.277030 (E_RNA)
where:
Base-Base interactions energy: -41.114
where: short stacking energy: -41.114
Base-Backbone interact. energy: -0.272
local terms energy: -76.891582
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -11.138
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: 10
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -350.730497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.730497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.730497 (E_RNA)
where:
Base-Base interactions energy: -236.236
where: short stacking energy: -92.570
Base-Backbone interact. energy: -0.341
local terms energy: -114.153624
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -301.509046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.509046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.509046 (E_RNA)
where:
Base-Base interactions energy: -199.103
where: short stacking energy: -93.427
Base-Backbone interact. energy: -0.835
local terms energy: -101.570932
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -24.007
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -24.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -302.870295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.870295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.870295 (E_RNA)
where:
Base-Base interactions energy: -200.280
where: short stacking energy: -94.505
Base-Backbone interact. energy: -0.295
local terms energy: -102.295124
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -22.683
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: 430
Temperature: 1.050000
Total energy: -320.986039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.986039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.986039 (E_RNA)
where:
Base-Base interactions energy: -207.887
where: short stacking energy: -93.633
Base-Backbone interact. energy: -0.015
local terms energy: -113.083820
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -254.838863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.838863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.838863 (E_RNA)
where:
Base-Base interactions energy: -160.122
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.101
local terms energy: -94.615415
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -223.086009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.086009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.086009 (E_RNA)
where:
Base-Base interactions energy: -121.585
where: short stacking energy: -70.546
Base-Backbone interact. energy: -0.355
local terms energy: -101.145873
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -264.064195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.064195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.064195 (E_RNA)
where:
Base-Base interactions energy: -163.093
where: short stacking energy: -80.740
Base-Backbone interact. energy: -0.432
local terms energy: -100.539192
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -26.383
flat angles P-C4'-P energy: -19.615
tors. eta vs tors. theta energy: -19.596
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: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -235.408828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.408828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.408828 (E_RNA)
where:
Base-Base interactions energy: -139.297
where: short stacking energy: -65.329
Base-Backbone interact. energy: -0.697
local terms energy: -95.414433
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -20.150
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: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -196.182117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.182117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.182117 (E_RNA)
where:
Base-Base interactions energy: -118.540
where: short stacking energy: -52.592
Base-Backbone interact. energy: -0.259
local terms energy: -77.382656
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -15.302
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: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -108.217325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.217325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.217325 (E_RNA)
where:
Base-Base interactions energy: -44.543
where: short stacking energy: -43.967
Base-Backbone interact. energy: -0.164
local terms energy: -63.510612
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -365.681692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.681692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.681692 (E_RNA)
where:
Base-Base interactions energy: -245.004
where: short stacking energy: -104.252
Base-Backbone interact. energy: -0.417
local terms energy: -120.260505
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -26.915
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -26.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -330.212499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.212499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.212499 (E_RNA)
where:
Base-Base interactions energy: -210.542
where: short stacking energy: -102.567
Base-Backbone interact. energy: -0.305
local terms energy: -119.365565
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -28.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -299.397208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.397208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.397208 (E_RNA)
where:
Base-Base interactions energy: -192.538
where: short stacking energy: -95.904
Base-Backbone interact. energy: 0.704
local terms energy: -107.563014
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -24.676
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -25.338
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: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -311.761423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.761423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.761423 (E_RNA)
where:
Base-Base interactions energy: -199.916
where: short stacking energy: -92.487
Base-Backbone interact. energy: -0.085
local terms energy: -111.760150
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -262.066178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.066178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.066178 (E_RNA)
where:
Base-Base interactions energy: -172.880
where: short stacking energy: -74.453
Base-Backbone interact. energy: 0.618
local terms energy: -89.803980
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -17.080
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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -248.114057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.114057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.114057 (E_RNA)
where:
Base-Base interactions energy: -156.082
where: short stacking energy: -75.030
Base-Backbone interact. energy: 0.711
local terms energy: -92.743588
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -242.482794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.482794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.482794 (E_RNA)
where:
Base-Base interactions energy: -152.641
where: short stacking energy: -77.089
Base-Backbone interact. energy: 0.525
local terms energy: -90.366863
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -21.428
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -244.059390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.059390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.059390 (E_RNA)
where:
Base-Base interactions energy: -149.754
where: short stacking energy: -85.746
Base-Backbone interact. energy: -1.117
local terms energy: -93.188474
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -12.722
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: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -158.946525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.946525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.946525 (E_RNA)
where:
Base-Base interactions energy: -89.183
where: short stacking energy: -29.875
Base-Backbone interact. energy: -0.952
local terms energy: -68.812296
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -23.411
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: 4.364
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: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -101.757300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.757300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.757300 (E_RNA)
where:
Base-Base interactions energy: -32.264
where: short stacking energy: -32.264
Base-Backbone interact. energy: 0.464
local terms energy: -69.957181
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -361.007503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.007503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.007503 (E_RNA)
where:
Base-Base interactions energy: -242.044
where: short stacking energy: -107.648
Base-Backbone interact. energy: -1.408
local terms energy: -117.555070
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -29.091
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -316.239128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.239128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.239128 (E_RNA)
where:
Base-Base interactions energy: -208.238
where: short stacking energy: -94.793
Base-Backbone interact. energy: 0.347
local terms energy: -108.348692
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -25.895
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: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -325.801160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.801160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.801160 (E_RNA)
where:
Base-Base interactions energy: -216.189
where: short stacking energy: -97.786
Base-Backbone interact. energy: -0.095
local terms energy: -109.516804
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -302.146014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.146014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.146014 (E_RNA)
where:
Base-Base interactions energy: -194.263
where: short stacking energy: -93.525
Base-Backbone interact. energy: -0.125
local terms energy: -107.757661
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -25.798
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: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -272.239527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.239527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.239527 (E_RNA)
where:
Base-Base interactions energy: -177.291
where: short stacking energy: -83.754
Base-Backbone interact. energy: 0.033
local terms energy: -94.981669
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -10.085
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: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -259.332913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.332913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.332913 (E_RNA)
where:
Base-Base interactions energy: -162.119
where: short stacking energy: -78.952
Base-Backbone interact. energy: -0.731
local terms energy: -96.483395
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -13.286
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: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -236.400833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.400833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.400833 (E_RNA)
where:
Base-Base interactions energy: -136.290
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.585
local terms energy: -99.525009
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -225.282943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.282943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.282943 (E_RNA)
where:
Base-Base interactions energy: -128.937
where: short stacking energy: -62.537
Base-Backbone interact. energy: 0.257
local terms energy: -96.603327
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -11.821
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: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -116.536500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.536500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.536500 (E_RNA)
where:
Base-Base interactions energy: -36.250
where: short stacking energy: -33.250
Base-Backbone interact. energy: -0.452
local terms energy: -79.834495
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: 2.016
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: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -103.852052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.852052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.852052 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.081
local terms energy: -67.517448
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -354.420942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.420942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.420942 (E_RNA)
where:
Base-Base interactions energy: -241.963
where: short stacking energy: -91.135
Base-Backbone interact. energy: -0.818
local terms energy: -111.639623
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -324.102284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.102284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.102284 (E_RNA)
where:
Base-Base interactions energy: -211.405
where: short stacking energy: -105.517
Base-Backbone interact. energy: -0.104
local terms energy: -112.593375
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -23.529
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -33.637
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: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -319.866137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.866137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.866137 (E_RNA)
where:
Base-Base interactions energy: -201.668
where: short stacking energy: -99.625
Base-Backbone interact. energy: 0.003
local terms energy: -118.201509
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -30.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -306.323826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.323826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.323826 (E_RNA)
where:
Base-Base interactions energy: -200.815
where: short stacking energy: -101.285
Base-Backbone interact. energy: -0.007
local terms energy: -105.501579
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -294.388429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.388429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.388429 (E_RNA)
where:
Base-Base interactions energy: -185.840
where: short stacking energy: -82.404
Base-Backbone interact. energy: 0.062
local terms energy: -108.609988
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -246.012238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.012238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.012238 (E_RNA)
where:
Base-Base interactions energy: -163.812
where: short stacking energy: -72.753
Base-Backbone interact. energy: -0.149
local terms energy: -82.051748
where:
bonds (distance) C4'-P energy: -26.655
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -9.859
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: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -266.272130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.272130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.272130 (E_RNA)
where:
Base-Base interactions energy: -165.371
where: short stacking energy: -77.544
Base-Backbone interact. energy: 0.636
local terms energy: -101.536709
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -12.970
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: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -129.728664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.728664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.728664 (E_RNA)
where:
Base-Base interactions energy: -57.902
where: short stacking energy: -43.949
Base-Backbone interact. energy: -0.216
local terms energy: -71.610416
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -200.284839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.284839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.284839 (E_RNA)
where:
Base-Base interactions energy: -114.021
where: short stacking energy: -55.675
Base-Backbone interact. energy: 1.808
local terms energy: -88.071357
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -109.048164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.048164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.048164 (E_RNA)
where:
Base-Base interactions energy: -48.381
where: short stacking energy: -45.924
Base-Backbone interact. energy: -0.098
local terms energy: -60.568973
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -6.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -364.895989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.895989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.895989 (E_RNA)
where:
Base-Base interactions energy: -251.892
where: short stacking energy: -99.444
Base-Backbone interact. energy: -0.239
local terms energy: -112.764951
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -24.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -321.775442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.775442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.775442 (E_RNA)
where:
Base-Base interactions energy: -212.185
where: short stacking energy: -92.890
Base-Backbone interact. energy: -0.476
local terms energy: -109.114392
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -27.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -314.134805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.134805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.134805 (E_RNA)
where:
Base-Base interactions energy: -212.011
where: short stacking energy: -94.094
Base-Backbone interact. energy: -0.224
local terms energy: -101.899979
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -303.554925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.554925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.554925 (E_RNA)
where:
Base-Base interactions energy: -200.444
where: short stacking energy: -88.241
Base-Backbone interact. energy: -0.120
local terms energy: -102.990865
where:
bonds (distance) C4'-P energy: -26.684
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -29.329
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: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -267.571571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.571571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.571571 (E_RNA)
where:
Base-Base interactions energy: -169.055
where: short stacking energy: -82.273
Base-Backbone interact. energy: 0.159
local terms energy: -98.675777
where:
bonds (distance) C4'-P energy: -24.615
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -261.014228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.014228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.014228 (E_RNA)
where:
Base-Base interactions energy: -157.342
where: short stacking energy: -72.076
Base-Backbone interact. energy: 0.100
local terms energy: -103.771968
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -254.987712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.987712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.987712 (E_RNA)
where:
Base-Base interactions energy: -161.889
where: short stacking energy: -85.019
Base-Backbone interact. energy: -0.556
local terms energy: -92.542607
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -10.980
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: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -136.637413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.637413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.637413 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -29.973
Base-Backbone interact. energy: 1.416
local terms energy: -83.953139
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -205.183712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.183712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.183712 (E_RNA)
where:
Base-Base interactions energy: -117.643
where: short stacking energy: -51.184
Base-Backbone interact. energy: 1.068
local terms energy: -88.608452
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -9.061
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: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -100.760550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.760550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.760550 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -29.718
Base-Backbone interact. energy: -0.539
local terms energy: -64.215751
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: 3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -361.098333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.098333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.098333 (E_RNA)
where:
Base-Base interactions energy: -241.131
where: short stacking energy: -104.959
Base-Backbone interact. energy: -0.316
local terms energy: -119.651642
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -321.022561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.022561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.022561 (E_RNA)
where:
Base-Base interactions energy: -209.930
where: short stacking energy: -108.122
Base-Backbone interact. energy: -0.038
local terms energy: -111.054347
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -30.740
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: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -323.148936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.148936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.148936 (E_RNA)
where:
Base-Base interactions energy: -206.481
where: short stacking energy: -92.605
Base-Backbone interact. energy: -0.503
local terms energy: -116.164216
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -300.075391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.075391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.075391 (E_RNA)
where:
Base-Base interactions energy: -199.908
where: short stacking energy: -87.481
Base-Backbone interact. energy: -1.503
local terms energy: -98.664247
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -296.861175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.861175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.861175 (E_RNA)
where:
Base-Base interactions energy: -182.169
where: short stacking energy: -82.079
Base-Backbone interact. energy: -0.260
local terms energy: -114.431490
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -23.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -238.072044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.072044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.072044 (E_RNA)
where:
Base-Base interactions energy: -148.103
where: short stacking energy: -66.252
Base-Backbone interact. energy: -0.611
local terms energy: -89.358150
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.165
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: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -228.871466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.871466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.871466 (E_RNA)
where:
Base-Base interactions energy: -139.851
where: short stacking energy: -72.389
Base-Backbone interact. energy: -0.127
local terms energy: -88.893325
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -224.470933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.470933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.470933 (E_RNA)
where:
Base-Base interactions energy: -136.708
where: short stacking energy: -64.665
Base-Backbone interact. energy: -1.519
local terms energy: -86.243850
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -9.174
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: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -129.623456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.623456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.623456 (E_RNA)
where:
Base-Base interactions energy: -49.891
where: short stacking energy: -36.928
Base-Backbone interact. energy: 0.215
local terms energy: -79.947745
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -116.595281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.595281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.595281 (E_RNA)
where:
Base-Base interactions energy: -37.942
where: short stacking energy: -37.847
Base-Backbone interact. energy: -0.430
local terms energy: -78.223033
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: 1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -356.019012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.019012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.019012 (E_RNA)
where:
Base-Base interactions energy: -238.372
where: short stacking energy: -93.024
Base-Backbone interact. energy: -0.502
local terms energy: -117.144757
where:
bonds (distance) C4'-P energy: -24.074
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -333.532101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.532101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.532101 (E_RNA)
where:
Base-Base interactions energy: -216.090
where: short stacking energy: -111.986
Base-Backbone interact. energy: -0.026
local terms energy: -117.416119
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -34.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -319.068634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.068634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.068634 (E_RNA)
where:
Base-Base interactions energy: -208.134
where: short stacking energy: -85.175
Base-Backbone interact. energy: -0.551
local terms energy: -110.383763
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -29.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -320.069070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.069070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.069070 (E_RNA)
where:
Base-Base interactions energy: -214.360
where: short stacking energy: -99.995
Base-Backbone interact. energy: 0.595
local terms energy: -106.304551
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -282.376303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.376303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.376303 (E_RNA)
where:
Base-Base interactions energy: -169.455
where: short stacking energy: -74.898
Base-Backbone interact. energy: -0.166
local terms energy: -112.754870
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -278.187020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.187020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.187020 (E_RNA)
where:
Base-Base interactions energy: -184.794
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.148
local terms energy: -93.245192
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -228.786890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.786890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.786890 (E_RNA)
where:
Base-Base interactions energy: -134.756
where: short stacking energy: -72.819
Base-Backbone interact. energy: -0.225
local terms energy: -93.805508
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -14.797
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: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -250.906330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.906330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.906330 (E_RNA)
where:
Base-Base interactions energy: -147.960
where: short stacking energy: -75.085
Base-Backbone interact. energy: -0.164
local terms energy: -102.782037
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -12.444
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: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -129.908409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.908409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.908409 (E_RNA)
where:
Base-Base interactions energy: -53.543
where: short stacking energy: -46.932
Base-Backbone interact. energy: -1.343
local terms energy: -75.022497
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -105.103053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.103053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.103053 (E_RNA)
where:
Base-Base interactions energy: -41.587
where: short stacking energy: -26.106
Base-Backbone interact. energy: -0.524
local terms energy: -62.991659
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -12.149
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: 1, replica: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -354.042828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.042828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.042828 (E_RNA)
where:
Base-Base interactions energy: -234.784
where: short stacking energy: -87.755
Base-Backbone interact. energy: -0.458
local terms energy: -118.800824
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -27.761
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -331.379271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.379271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.379271 (E_RNA)
where:
Base-Base interactions energy: -218.467
where: short stacking energy: -96.570
Base-Backbone interact. energy: -0.223
local terms energy: -112.688924
where:
bonds (distance) C4'-P energy: -24.409
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -27.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -313.513713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.513713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.513713 (E_RNA)
where:
Base-Base interactions energy: -200.964
where: short stacking energy: -93.002
Base-Backbone interact. energy: -0.161
local terms energy: -112.388563
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -28.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -311.269850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.269850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.269850 (E_RNA)
where:
Base-Base interactions energy: -198.304
where: short stacking energy: -96.791
Base-Backbone interact. energy: 0.208
local terms energy: -113.174784
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -29.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -294.092594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.092594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.092594 (E_RNA)
where:
Base-Base interactions energy: -182.134
where: short stacking energy: -91.474
Base-Backbone interact. energy: -0.087
local terms energy: -111.871785
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -29.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -278.363240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.363240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.363240 (E_RNA)
where:
Base-Base interactions energy: -177.351
where: short stacking energy: -81.633
Base-Backbone interact. energy: 1.127
local terms energy: -102.138960
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -26.588
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -193.522351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.522351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.522351 (E_RNA)
where:
Base-Base interactions energy: -102.175
where: short stacking energy: -48.584
Base-Backbone interact. energy: -0.507
local terms energy: -90.840006
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -3.017
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: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -237.528701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.528701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.528701 (E_RNA)
where:
Base-Base interactions energy: -129.720
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.137
local terms energy: -107.671605
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -127.741230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.741230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.741230 (E_RNA)
where:
Base-Base interactions energy: -53.286
where: short stacking energy: -50.270
Base-Backbone interact. energy: -0.335
local terms energy: -74.119837
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -22.785
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -15.323
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: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -122.899653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.899653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.899653 (E_RNA)
where:
Base-Base interactions energy: -49.562
where: short stacking energy: -20.388
Base-Backbone interact. energy: -0.553
local terms energy: -72.784718
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: 4.386
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: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -366.463311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.463311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.463311 (E_RNA)
where:
Base-Base interactions energy: -249.125
where: short stacking energy: -110.117
Base-Backbone interact. energy: 0.559
local terms energy: -117.898066
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -28.844
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: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -336.886163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.886163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.886163 (E_RNA)
where:
Base-Base interactions energy: -219.137
where: short stacking energy: -105.387
Base-Backbone interact. energy: -0.704
local terms energy: -117.045198
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -36.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -305.013277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.013277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.013277 (E_RNA)
where:
Base-Base interactions energy: -194.697
where: short stacking energy: -90.748
Base-Backbone interact. energy: -0.139
local terms energy: -110.176971
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -19.471
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: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -293.757586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.757586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.757586 (E_RNA)
where:
Base-Base interactions energy: -188.707
where: short stacking energy: -93.657
Base-Backbone interact. energy: -0.109
local terms energy: -104.941833
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -25.306
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: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -299.918086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.918086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.918086 (E_RNA)
where:
Base-Base interactions energy: -189.150
where: short stacking energy: -80.719
Base-Backbone interact. energy: -0.129
local terms energy: -110.639482
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -25.230
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: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -278.511001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.511001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.511001 (E_RNA)
where:
Base-Base interactions energy: -173.442
where: short stacking energy: -78.334
Base-Backbone interact. energy: -0.243
local terms energy: -104.825726
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -24.351
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -224.645427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.645427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.645427 (E_RNA)
where:
Base-Base interactions energy: -129.884
where: short stacking energy: -59.775
Base-Backbone interact. energy: -0.070
local terms energy: -94.690912
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -8.683
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: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -224.274118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.274118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.274118 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.794
local terms energy: -86.877457
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -129.351517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.351517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.351517 (E_RNA)
where:
Base-Base interactions energy: -53.824
where: short stacking energy: -39.853
Base-Backbone interact. energy: -0.777
local terms energy: -74.750485
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -9.000
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: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -148.516650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.516650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.516650 (E_RNA)
where:
Base-Base interactions energy: -80.901
where: short stacking energy: -52.158
Base-Backbone interact. energy: -0.055
local terms energy: -67.561316
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -366.059654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.059654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.059654 (E_RNA)
where:
Base-Base interactions energy: -251.318
where: short stacking energy: -93.241
Base-Backbone interact. energy: -0.262
local terms energy: -114.479288
where:
bonds (distance) C4'-P energy: -24.953
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -26.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -329.288456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.288456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.288456 (E_RNA)
where:
Base-Base interactions energy: -217.882
where: short stacking energy: -109.765
Base-Backbone interact. energy: -0.155
local terms energy: -111.251941
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -315.233792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.233792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.233792 (E_RNA)
where:
Base-Base interactions energy: -206.575
where: short stacking energy: -98.201
Base-Backbone interact. energy: -0.197
local terms energy: -108.462169
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -21.062
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -27.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -313.715296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.715296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.715296 (E_RNA)
where:
Base-Base interactions energy: -214.259
where: short stacking energy: -97.993
Base-Backbone interact. energy: -0.136
local terms energy: -99.320408
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -25.551
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: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -276.635877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.635877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.635877 (E_RNA)
where:
Base-Base interactions energy: -178.317
where: short stacking energy: -66.845
Base-Backbone interact. energy: 0.016
local terms energy: -98.335446
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -244.402710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.402710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.402710 (E_RNA)
where:
Base-Base interactions energy: -142.732
where: short stacking energy: -74.944
Base-Backbone interact. energy: -0.069
local terms energy: -101.601452
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -285.356093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.356093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.356093 (E_RNA)
where:
Base-Base interactions energy: -185.232
where: short stacking energy: -87.958
Base-Backbone interact. energy: -0.443
local terms energy: -99.681040
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -25.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -210.379138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.379138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.379138 (E_RNA)
where:
Base-Base interactions energy: -135.112
where: short stacking energy: -68.169
Base-Backbone interact. energy: 0.635
local terms energy: -75.902565
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.068
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: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -105.017793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.017793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.017793 (E_RNA)
where:
Base-Base interactions energy: -28.143
where: short stacking energy: -24.915
Base-Backbone interact. energy: 0.666
local terms energy: -77.540215
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -12.912
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: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -186.814893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.814893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.814893 (E_RNA)
where:
Base-Base interactions energy: -102.095
where: short stacking energy: -51.612
Base-Backbone interact. energy: 0.006
local terms energy: -84.726677
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -360.230101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.230101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.230101 (E_RNA)
where:
Base-Base interactions energy: -242.604
where: short stacking energy: -108.793
Base-Backbone interact. energy: -0.497
local terms energy: -117.129159
where:
bonds (distance) C4'-P energy: -24.282
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -28.810
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: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -333.102773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.102773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.102773 (E_RNA)
where:
Base-Base interactions energy: -209.072
where: short stacking energy: -105.683
Base-Backbone interact. energy: -0.336
local terms energy: -123.695236
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -32.855
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: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -299.125690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.125690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.125690 (E_RNA)
where:
Base-Base interactions energy: -196.715
where: short stacking energy: -82.862
Base-Backbone interact. energy: -0.168
local terms energy: -102.242805
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -305.456994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.456994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.456994 (E_RNA)
where:
Base-Base interactions energy: -201.062
where: short stacking energy: -89.647
Base-Backbone interact. energy: -0.381
local terms energy: -104.013865
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -281.314008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.314008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.314008 (E_RNA)
where:
Base-Base interactions energy: -189.210
where: short stacking energy: -72.548
Base-Backbone interact. energy: 0.006
local terms energy: -92.110649
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -240.448540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.448540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.448540 (E_RNA)
where:
Base-Base interactions energy: -143.661
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.630
local terms energy: -96.157715
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -232.618097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.618097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.618097 (E_RNA)
where:
Base-Base interactions energy: -142.547
where: short stacking energy: -70.097
Base-Backbone interact. energy: -0.038
local terms energy: -90.033196
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -244.153879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.153879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.153879 (E_RNA)
where:
Base-Base interactions energy: -149.211
where: short stacking energy: -67.000
Base-Backbone interact. energy: -1.746
local terms energy: -93.196479
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -9.609
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: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -204.352815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.352815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.352815 (E_RNA)
where:
Base-Base interactions energy: -125.326
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.597
local terms energy: -78.429067
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -9.123
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: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -107.293505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.293505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.293505 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -30.216
Base-Backbone interact. energy: -0.358
local terms energy: -76.720389
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -360.268123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.268123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.268123 (E_RNA)
where:
Base-Base interactions energy: -242.948
where: short stacking energy: -95.664
Base-Backbone interact. energy: -0.250
local terms energy: -117.069273
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -26.065
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: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -314.731674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.731674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.731674 (E_RNA)
where:
Base-Base interactions energy: -208.545
where: short stacking energy: -87.886
Base-Backbone interact. energy: -0.607
local terms energy: -105.578834
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -12.704
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: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -324.445944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.445944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.445944 (E_RNA)
where:
Base-Base interactions energy: -214.164
where: short stacking energy: -90.444
Base-Backbone interact. energy: -0.261
local terms energy: -110.021207
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -310.952975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.952975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.952975 (E_RNA)
where:
Base-Base interactions energy: -198.619
where: short stacking energy: -90.772
Base-Backbone interact. energy: -0.020
local terms energy: -112.313924
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -26.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -292.321849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.321849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.321849 (E_RNA)
where:
Base-Base interactions energy: -183.346
where: short stacking energy: -89.314
Base-Backbone interact. energy: -0.068
local terms energy: -108.907886
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -30.546
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: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -220.839917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.839917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.839917 (E_RNA)
where:
Base-Base interactions energy: -133.341
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.019
local terms energy: -87.479741
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -13.654
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: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -219.173672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.173672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.173672 (E_RNA)
where:
Base-Base interactions energy: -137.470
where: short stacking energy: -80.700
Base-Backbone interact. energy: -0.271
local terms energy: -81.432724
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -11.308
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -226.681208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.681208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.681208 (E_RNA)
where:
Base-Base interactions energy: -141.866
where: short stacking energy: -72.399
Base-Backbone interact. energy: -0.109
local terms energy: -84.706199
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -218.426559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.426559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.426559 (E_RNA)
where:
Base-Base interactions energy: -127.823
where: short stacking energy: -58.718
Base-Backbone interact. energy: 0.514
local terms energy: -91.117577
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -127.249500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.249500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.249500 (E_RNA)
where:
Base-Base interactions energy: -47.858
where: short stacking energy: -28.859
Base-Backbone interact. energy: 0.015
local terms energy: -79.406206
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -355.877555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.877555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.877555 (E_RNA)
where:
Base-Base interactions energy: -247.285
where: short stacking energy: -92.573
Base-Backbone interact. energy: -0.216
local terms energy: -108.377451
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -26.798
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: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -305.534047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.534047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.534047 (E_RNA)
where:
Base-Base interactions energy: -197.220
where: short stacking energy: -106.774
Base-Backbone interact. energy: -0.039
local terms energy: -108.274615
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -27.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -310.194127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.194127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.194127 (E_RNA)
where:
Base-Base interactions energy: -198.852
where: short stacking energy: -98.341
Base-Backbone interact. energy: -0.079
local terms energy: -111.262977
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -26.338
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: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -296.856876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.856876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.856876 (E_RNA)
where:
Base-Base interactions energy: -188.408
where: short stacking energy: -88.940
Base-Backbone interact. energy: -0.488
local terms energy: -107.960961
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -24.542
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -302.564419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.564419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.564419 (E_RNA)
where:
Base-Base interactions energy: -192.230
where: short stacking energy: -91.246
Base-Backbone interact. energy: -1.393
local terms energy: -108.941169
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -246.193238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.193238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.193238 (E_RNA)
where:
Base-Base interactions energy: -148.653
where: short stacking energy: -81.364
Base-Backbone interact. energy: -0.050
local terms energy: -97.490336
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -14.487
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: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -239.115777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.115777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.115777 (E_RNA)
where:
Base-Base interactions energy: -143.462
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.116
local terms energy: -95.537815
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -11.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -199.015596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.015596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.015596 (E_RNA)
where:
Base-Base interactions energy: -115.429
where: short stacking energy: -47.984
Base-Backbone interact. energy: -0.175
local terms energy: -83.412230
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -240.335736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.335736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.335736 (E_RNA)
where:
Base-Base interactions energy: -153.417
where: short stacking energy: -78.632
Base-Backbone interact. energy: 0.050
local terms energy: -86.968346
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -17.023
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: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -116.909327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.909327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.909327 (E_RNA)
where:
Base-Base interactions energy: -47.387
where: short stacking energy: -43.616
Base-Backbone interact. energy: -1.144
local terms energy: -68.378404
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -346.157886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.157886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.157886 (E_RNA)
where:
Base-Base interactions energy: -236.591
where: short stacking energy: -103.084
Base-Backbone interact. energy: 0.285
local terms energy: -109.851206
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -15.195
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: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -328.701126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.701126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.701126 (E_RNA)
where:
Base-Base interactions energy: -215.444
where: short stacking energy: -101.015
Base-Backbone interact. energy: -0.193
local terms energy: -113.064776
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -34.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -300.535736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.535736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.535736 (E_RNA)
where:
Base-Base interactions energy: -192.429
where: short stacking energy: -85.701
Base-Backbone interact. energy: -0.062
local terms energy: -108.044244
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -315.017579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.017579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.017579 (E_RNA)
where:
Base-Base interactions energy: -201.180
where: short stacking energy: -93.709
Base-Backbone interact. energy: -1.173
local terms energy: -112.664359
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -26.321
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -295.235559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.235559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.235559 (E_RNA)
where:
Base-Base interactions energy: -184.182
where: short stacking energy: -84.134
Base-Backbone interact. energy: -0.153
local terms energy: -110.899872
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -24.157
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: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -246.323134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.323134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.323134 (E_RNA)
where:
Base-Base interactions energy: -146.652
where: short stacking energy: -66.739
Base-Backbone interact. energy: -0.822
local terms energy: -98.849412
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -25.870
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -195.188760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.188760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.188760 (E_RNA)
where:
Base-Base interactions energy: -103.863
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.228
local terms energy: -91.098198
where:
bonds (distance) C4'-P energy: -25.403
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -228.878755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.878755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.878755 (E_RNA)
where:
Base-Base interactions energy: -138.725
where: short stacking energy: -70.591
Base-Backbone interact. energy: 2.167
local terms energy: -92.320604
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -195.799609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.799609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.799609 (E_RNA)
where:
Base-Base interactions energy: -115.763
where: short stacking energy: -50.736
Base-Backbone interact. energy: -0.240
local terms energy: -79.796594
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -111.287565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.287565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.287565 (E_RNA)
where:
Base-Base interactions energy: -30.323
where: short stacking energy: -27.112
Base-Backbone interact. energy: 1.089
local terms energy: -82.054180
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -333.692817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.692817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.692817 (E_RNA)
where:
Base-Base interactions energy: -217.514
where: short stacking energy: -103.874
Base-Backbone interact. energy: -1.584
local terms energy: -114.595085
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -28.723
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: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -334.217772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.217772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.217772 (E_RNA)
where:
Base-Base interactions energy: -215.807
where: short stacking energy: -96.555
Base-Backbone interact. energy: -0.635
local terms energy: -117.775389
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -27.129
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: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -301.669335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.669335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.669335 (E_RNA)
where:
Base-Base interactions energy: -199.230
where: short stacking energy: -91.848
Base-Backbone interact. energy: -0.060
local terms energy: -102.379528
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -302.664570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.664570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.664570 (E_RNA)
where:
Base-Base interactions energy: -196.998
where: short stacking energy: -96.521
Base-Backbone interact. energy: -0.773
local terms energy: -104.893957
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -26.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -266.190968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.190968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.190968 (E_RNA)
where:
Base-Base interactions energy: -163.147
where: short stacking energy: -79.881
Base-Backbone interact. energy: -0.096
local terms energy: -102.947624
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -277.603556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.603556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.603556 (E_RNA)
where:
Base-Base interactions energy: -166.246
where: short stacking energy: -87.100
Base-Backbone interact. energy: -0.245
local terms energy: -111.112571
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -221.507250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.507250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.507250 (E_RNA)
where:
Base-Base interactions energy: -140.629
where: short stacking energy: -68.365
Base-Backbone interact. energy: 0.401
local terms energy: -81.279442
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -10.508
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: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -216.036328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.036328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.036328 (E_RNA)
where:
Base-Base interactions energy: -136.934
where: short stacking energy: -65.503
Base-Backbone interact. energy: 0.454
local terms energy: -79.557142
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -11.392
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: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -206.681504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.681504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.681504 (E_RNA)
where:
Base-Base interactions energy: -127.231
where: short stacking energy: -55.721
Base-Backbone interact. energy: -0.498
local terms energy: -78.952554
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -9.225
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: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -107.488057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.488057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.488057 (E_RNA)
where:
Base-Base interactions energy: -36.275
where: short stacking energy: -36.540
Base-Backbone interact. energy: -0.510
local terms energy: -70.702592
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -342.178546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.178546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.178546 (E_RNA)
where:
Base-Base interactions energy: -218.178
where: short stacking energy: -112.448
Base-Backbone interact. energy: -1.157
local terms energy: -122.843645
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -36.690
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: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -334.878450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.878450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.878450 (E_RNA)
where:
Base-Base interactions energy: -225.586
where: short stacking energy: -106.882
Base-Backbone interact. energy: -0.281
local terms energy: -109.011394
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -25.776
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -29.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -290.609097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.609097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.609097 (E_RNA)
where:
Base-Base interactions energy: -185.241
where: short stacking energy: -91.073
Base-Backbone interact. energy: -0.018
local terms energy: -105.350177
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -266.424982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.424982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.424982 (E_RNA)
where:
Base-Base interactions energy: -157.674
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.650
local terms energy: -108.101087
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -270.547583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.547583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.547583 (E_RNA)
where:
Base-Base interactions energy: -165.258
where: short stacking energy: -88.347
Base-Backbone interact. energy: -0.074
local terms energy: -105.215707
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -26.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -252.655837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.655837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.655837 (E_RNA)
where:
Base-Base interactions energy: -167.090
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.236
local terms energy: -85.329364
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -18.757
tors. eta vs tors. theta energy: -12.332
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: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -258.480661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.480661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.480661 (E_RNA)
where:
Base-Base interactions energy: -169.521
where: short stacking energy: -81.472
Base-Backbone interact. energy: 1.567
local terms energy: -90.526674
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -228.445006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.445006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.445006 (E_RNA)
where:
Base-Base interactions energy: -134.996
where: short stacking energy: -64.102
Base-Backbone interact. energy: -0.119
local terms energy: -93.330875
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -25.992
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -183.967584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.967584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.967584 (E_RNA)
where:
Base-Base interactions energy: -109.695
where: short stacking energy: -58.261
Base-Backbone interact. energy: -0.377
local terms energy: -73.895562
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -12.142
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: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -116.434776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.434776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.434776 (E_RNA)
where:
Base-Base interactions energy: -40.677
where: short stacking energy: -36.745
Base-Backbone interact. energy: -0.219
local terms energy: -75.538873
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -6.914
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -343.216949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.216949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.216949 (E_RNA)
where:
Base-Base interactions energy: -230.742
where: short stacking energy: -100.479
Base-Backbone interact. energy: -0.670
local terms energy: -111.804300
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -22.711
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: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -335.791540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.791540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.791540 (E_RNA)
where:
Base-Base interactions energy: -216.339
where: short stacking energy: -102.918
Base-Backbone interact. energy: -0.125
local terms energy: -119.327730
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -30.895
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: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -296.311333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.311333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.311333 (E_RNA)
where:
Base-Base interactions energy: -188.188
where: short stacking energy: -90.391
Base-Backbone interact. energy: -0.007
local terms energy: -108.115841
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -28.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -265.608602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.608602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.608602 (E_RNA)
where:
Base-Base interactions energy: -165.208
where: short stacking energy: -70.155
Base-Backbone interact. energy: -1.055
local terms energy: -99.345218
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -276.327719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.327719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.327719 (E_RNA)
where:
Base-Base interactions energy: -168.384
where: short stacking energy: -88.342
Base-Backbone interact. energy: -0.010
local terms energy: -107.933749
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -263.657677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.657677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.657677 (E_RNA)
where:
Base-Base interactions energy: -173.466
where: short stacking energy: -72.250
Base-Backbone interact. energy: 1.049
local terms energy: -91.241034
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -236.314504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.314504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.314504 (E_RNA)
where:
Base-Base interactions energy: -140.072
where: short stacking energy: -74.721
Base-Backbone interact. energy: -0.386
local terms energy: -95.856444
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -237.356956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.356956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.356956 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.337
local terms energy: -89.703955
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -184.964272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.964272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.964272 (E_RNA)
where:
Base-Base interactions energy: -103.869
where: short stacking energy: -46.411
Base-Backbone interact. energy: -0.238
local terms energy: -80.857162
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -3.227
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: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -106.565981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.565981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.565981 (E_RNA)
where:
Base-Base interactions energy: -38.541
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.119
local terms energy: -67.906107
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: 2.331
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: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -319.047135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.047135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.047135 (E_RNA)
where:
Base-Base interactions energy: -207.466
where: short stacking energy: -88.174
Base-Backbone interact. energy: -0.222
local terms energy: -111.359142
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -25.593
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -24.901
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: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -320.396587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.396587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.396587 (E_RNA)
where:
Base-Base interactions energy: -202.658
where: short stacking energy: -99.065
Base-Backbone interact. energy: 0.200
local terms energy: -117.939146
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -33.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -308.085054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.085054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.085054 (E_RNA)
where:
Base-Base interactions energy: -205.260
where: short stacking energy: -99.451
Base-Backbone interact. energy: -0.580
local terms energy: -102.244797
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -25.506
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: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -270.123330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.123330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.123330 (E_RNA)
where:
Base-Base interactions energy: -176.971
where: short stacking energy: -100.611
Base-Backbone interact. energy: 0.902
local terms energy: -94.054359
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -24.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -268.644907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.644907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.644907 (E_RNA)
where:
Base-Base interactions energy: -162.417
where: short stacking energy: -75.228
Base-Backbone interact. energy: -1.273
local terms energy: -104.954635
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -235.160830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.160830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.160830 (E_RNA)
where:
Base-Base interactions energy: -142.483
where: short stacking energy: -70.711
Base-Backbone interact. energy: -0.115
local terms energy: -92.562469
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -20.186
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: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -257.890253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.890253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.890253 (E_RNA)
where:
Base-Base interactions energy: -170.089
where: short stacking energy: -87.713
Base-Backbone interact. energy: 6.283
local terms energy: -94.084507
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -23.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -238.918225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.918225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.918225 (E_RNA)
where:
Base-Base interactions energy: -150.410
where: short stacking energy: -71.908
Base-Backbone interact. energy: -0.526
local terms energy: -87.982308
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -23.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -206.537567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.537567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.537567 (E_RNA)
where:
Base-Base interactions energy: -115.724
where: short stacking energy: -51.622
Base-Backbone interact. energy: -1.175
local terms energy: -89.639266
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -12.022
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: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -122.635609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.635609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.635609 (E_RNA)
where:
Base-Base interactions energy: -45.729
where: short stacking energy: -22.165
Base-Backbone interact. energy: -0.826
local terms energy: -76.080641
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: 2.963
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: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -334.396799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.396799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.396799 (E_RNA)
where:
Base-Base interactions energy: -217.233
where: short stacking energy: -105.844
Base-Backbone interact. energy: -0.014
local terms energy: -117.150496
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -28.746
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: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -324.807132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.807132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.807132 (E_RNA)
where:
Base-Base interactions energy: -203.243
where: short stacking energy: -96.270
Base-Backbone interact. energy: -0.031
local terms energy: -121.533007
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -27.019
flat angles C4'-P-C4' energy: -25.371
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -29.783
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: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -312.187658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.187658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.187658 (E_RNA)
where:
Base-Base interactions energy: -201.369
where: short stacking energy: -96.520
Base-Backbone interact. energy: -0.088
local terms energy: -110.730670
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -26.710
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: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -273.999161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.999161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.999161 (E_RNA)
where:
Base-Base interactions energy: -174.023
where: short stacking energy: -91.153
Base-Backbone interact. energy: -0.067
local terms energy: -99.909126
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -23.938
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: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -241.750351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.750351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.750351 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -78.918
Base-Backbone interact. energy: 0.340
local terms energy: -91.872095
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -277.834558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.834558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.834558 (E_RNA)
where:
Base-Base interactions energy: -173.147
where: short stacking energy: -87.908
Base-Backbone interact. energy: -0.177
local terms energy: -104.510753
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -22.882
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: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -246.942729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.942729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.942729 (E_RNA)
where:
Base-Base interactions energy: -150.266
where: short stacking energy: -66.062
Base-Backbone interact. energy: -0.452
local terms energy: -96.224058
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -17.472
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: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -259.648457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.648457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.648457 (E_RNA)
where:
Base-Base interactions energy: -158.636
where: short stacking energy: -74.440
Base-Backbone interact. energy: -0.678
local terms energy: -100.334820
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -178.356960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.356960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.356960 (E_RNA)
where:
Base-Base interactions energy: -102.007
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.351
local terms energy: -75.999034
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -14.061
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: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -115.300067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.300067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.300067 (E_RNA)
where:
Base-Base interactions energy: -44.708
where: short stacking energy: -44.296
Base-Backbone interact. energy: -0.151
local terms energy: -70.440921
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -344.604783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.604783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.604783 (E_RNA)
where:
Base-Base interactions energy: -229.347
where: short stacking energy: -104.441
Base-Backbone interact. energy: -0.080
local terms energy: -115.177296
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -29.634
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: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -330.809651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.809651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.809651 (E_RNA)
where:
Base-Base interactions energy: -216.559
where: short stacking energy: -106.739
Base-Backbone interact. energy: -0.718
local terms energy: -113.532408
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -30.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -315.726501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.726501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.726501 (E_RNA)
where:
Base-Base interactions energy: -202.849
where: short stacking energy: -90.098
Base-Backbone interact. energy: 0.412
local terms energy: -113.289595
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -31.577
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: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -277.401724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.401724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.401724 (E_RNA)
where:
Base-Base interactions energy: -180.974
where: short stacking energy: -77.568
Base-Backbone interact. energy: 0.326
local terms energy: -96.753851
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -15.804
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: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -253.882824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.882824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.882824 (E_RNA)
where:
Base-Base interactions energy: -155.855
where: short stacking energy: -76.049
Base-Backbone interact. energy: -0.537
local terms energy: -97.490515
where:
bonds (distance) C4'-P energy: -23.435
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -251.403152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.403152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.403152 (E_RNA)
where:
Base-Base interactions energy: -154.736
where: short stacking energy: -71.360
Base-Backbone interact. energy: -0.127
local terms energy: -96.540637
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -240.350683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.350683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.350683 (E_RNA)
where:
Base-Base interactions energy: -150.481
where: short stacking energy: -72.239
Base-Backbone interact. energy: -0.646
local terms energy: -89.223891
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -18.979
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: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -197.148511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.148511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.148511 (E_RNA)
where:
Base-Base interactions energy: -126.551
where: short stacking energy: -56.607
Base-Backbone interact. energy: 0.050
local terms energy: -70.647687
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -10.415
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: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -200.829722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.829722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.829722 (E_RNA)
where:
Base-Base interactions energy: -120.556
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.678
local terms energy: -79.595823
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -21.445
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -117.121545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.121545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.121545 (E_RNA)
where:
Base-Base interactions energy: -36.196
where: short stacking energy: -34.563
Base-Backbone interact. energy: 0.002
local terms energy: -80.927993
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -339.568171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.568171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.568171 (E_RNA)
where:
Base-Base interactions energy: -216.613
where: short stacking energy: -107.049
Base-Backbone interact. energy: -0.559
local terms energy: -122.395771
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -339.077881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.077881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.077881 (E_RNA)
where:
Base-Base interactions energy: -225.595
where: short stacking energy: -101.217
Base-Backbone interact. energy: -0.243
local terms energy: -113.239967
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -34.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -318.324781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.324781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.324781 (E_RNA)
where:
Base-Base interactions energy: -208.234
where: short stacking energy: -101.600
Base-Backbone interact. energy: 0.788
local terms energy: -110.878671
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -28.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -271.877866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.877866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.877866 (E_RNA)
where:
Base-Base interactions energy: -167.263
where: short stacking energy: -95.264
Base-Backbone interact. energy: -0.901
local terms energy: -103.713244
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -264.945968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.945968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.945968 (E_RNA)
where:
Base-Base interactions energy: -159.529
where: short stacking energy: -80.922
Base-Backbone interact. energy: -0.316
local terms energy: -105.100896
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -19.370
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: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -243.383082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.383082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.383082 (E_RNA)
where:
Base-Base interactions energy: -147.630
where: short stacking energy: -69.448
Base-Backbone interact. energy: -0.665
local terms energy: -95.087842
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -17.306
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: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -213.927387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.927387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.927387 (E_RNA)
where:
Base-Base interactions energy: -123.086
where: short stacking energy: -62.001
Base-Backbone interact. energy: -0.618
local terms energy: -90.222909
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -15.099
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: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -233.760589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.760589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.760589 (E_RNA)
where:
Base-Base interactions energy: -151.196
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.925
local terms energy: -81.640132
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -237.261783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.261783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.261783 (E_RNA)
where:
Base-Base interactions energy: -139.624
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.811
local terms energy: -96.826444
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -11.237
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: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -104.677296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.677296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.677296 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -31.177
Base-Backbone interact. energy: 2.089
local terms energy: -67.372557
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: 3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -334.675461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.675461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.675461 (E_RNA)
where:
Base-Base interactions energy: -215.290
where: short stacking energy: -102.246
Base-Backbone interact. energy: -0.863
local terms energy: -118.522564
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -32.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -330.679905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.679905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.679905 (E_RNA)
where:
Base-Base interactions energy: -211.653
where: short stacking energy: -103.877
Base-Backbone interact. energy: -0.004
local terms energy: -119.023453
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -31.731
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: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -329.266377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.266377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.266377 (E_RNA)
where:
Base-Base interactions energy: -218.255
where: short stacking energy: -97.585
Base-Backbone interact. energy: 3.059
local terms energy: -114.070606
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -28.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -275.250093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.250093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.250093 (E_RNA)
where:
Base-Base interactions energy: -171.962
where: short stacking energy: -85.879
Base-Backbone interact. energy: 1.713
local terms energy: -105.001180
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -16.943
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: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -249.850116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.850116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.850116 (E_RNA)
where:
Base-Base interactions energy: -150.460
where: short stacking energy: -79.559
Base-Backbone interact. energy: 2.455
local terms energy: -101.844680
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -252.816783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.816783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.816783 (E_RNA)
where:
Base-Base interactions energy: -162.157
where: short stacking energy: -77.307
Base-Backbone interact. energy: -0.237
local terms energy: -90.422244
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -226.128903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.128903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.128903 (E_RNA)
where:
Base-Base interactions energy: -147.913
where: short stacking energy: -62.429
Base-Backbone interact. energy: 0.804
local terms energy: -79.019676
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -10.586
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: 8, replica: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -239.454061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.454061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.454061 (E_RNA)
where:
Base-Base interactions energy: -151.038
where: short stacking energy: -80.048
Base-Backbone interact. energy: 1.082
local terms energy: -89.498079
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -10.014
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: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -231.048456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.048456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.048456 (E_RNA)
where:
Base-Base interactions energy: -146.724
where: short stacking energy: -66.274
Base-Backbone interact. energy: -0.270
local terms energy: -84.054392
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -16.603
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: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -109.125796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.125796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.125796 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -30.191
Base-Backbone interact. energy: -0.208
local terms energy: -77.913972
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -331.049982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.049982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.049982 (E_RNA)
where:
Base-Base interactions energy: -216.979
where: short stacking energy: -96.959
Base-Backbone interact. energy: -0.018
local terms energy: -114.053815
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -329.680541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.680541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.680541 (E_RNA)
where:
Base-Base interactions energy: -219.692
where: short stacking energy: -106.408
Base-Backbone interact. energy: -0.726
local terms energy: -109.262149
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -24.756
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -28.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -328.172582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.172582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.172582 (E_RNA)
where:
Base-Base interactions energy: -217.517
where: short stacking energy: -94.811
Base-Backbone interact. energy: -0.207
local terms energy: -110.448333
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -29.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -270.171528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.171528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.171528 (E_RNA)
where:
Base-Base interactions energy: -171.816
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.069
local terms energy: -98.286458
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -14.353
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: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -253.823555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.823555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.823555 (E_RNA)
where:
Base-Base interactions energy: -153.087
where: short stacking energy: -71.862
Base-Backbone interact. energy: -0.131
local terms energy: -100.605738
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -24.505
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -19.970
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: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -244.198778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.198778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.198778 (E_RNA)
where:
Base-Base interactions energy: -163.755
where: short stacking energy: -66.061
Base-Backbone interact. energy: -0.195
local terms energy: -80.248749
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -199.171216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.171216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.171216 (E_RNA)
where:
Base-Base interactions energy: -112.743
where: short stacking energy: -54.096
Base-Backbone interact. energy: 0.533
local terms energy: -86.960758
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -24.548
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -206.285951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.285951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.285951 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -56.898
Base-Backbone interact. energy: 1.676
local terms energy: -83.352442
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -198.371664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.371664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.371664 (E_RNA)
where:
Base-Base interactions energy: -113.904
where: short stacking energy: -53.985
Base-Backbone interact. energy: 1.602
local terms energy: -86.069735
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -106.205554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.205554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.205554 (E_RNA)
where:
Base-Base interactions energy: -33.595
where: short stacking energy: -21.560
Base-Backbone interact. energy: -0.511
local terms energy: -72.099571
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -0.476
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: 453
Temperature: 0.900000
Total energy: -326.122416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.122416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.122416 (E_RNA)
where:
Base-Base interactions energy: -201.217
where: short stacking energy: -100.963
Base-Backbone interact. energy: -0.143
local terms energy: -124.761882
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -27.664
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: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -343.440008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.440008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.440008 (E_RNA)
where:
Base-Base interactions energy: -224.648
where: short stacking energy: -108.639
Base-Backbone interact. energy: 0.262
local terms energy: -119.054100
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -33.738
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: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -307.436265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.436265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.436265 (E_RNA)
where:
Base-Base interactions energy: -189.294
where: short stacking energy: -106.948
Base-Backbone interact. energy: -0.007
local terms energy: -118.135161
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -34.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -274.721835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.721835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.721835 (E_RNA)
where:
Base-Base interactions energy: -166.655
where: short stacking energy: -85.010
Base-Backbone interact. energy: -0.315
local terms energy: -107.752278
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -246.476898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.476898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.476898 (E_RNA)
where:
Base-Base interactions energy: -138.704
where: short stacking energy: -71.394
Base-Backbone interact. energy: -0.136
local terms energy: -107.637309
where:
bonds (distance) C4'-P energy: -23.618
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -273.961314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.961314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.961314 (E_RNA)
where:
Base-Base interactions energy: -169.391
where: short stacking energy: -76.194
Base-Backbone interact. energy: -0.389
local terms energy: -104.180857
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -17.038
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: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -221.870751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.870751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.870751 (E_RNA)
where:
Base-Base interactions energy: -136.857
where: short stacking energy: -66.713
Base-Backbone interact. energy: 0.760
local terms energy: -85.773870
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -127.770450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.770450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.770450 (E_RNA)
where:
Base-Base interactions energy: -49.738
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.210
local terms energy: -77.822396
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -9.716
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: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -204.039626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.039626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.039626 (E_RNA)
where:
Base-Base interactions energy: -124.235
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.354
local terms energy: -79.450131
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -11.945
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: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -105.083295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.083295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.083295 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -32.827
Base-Backbone interact. energy: -0.234
local terms energy: -69.381711
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -355.842622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.842622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.842622 (E_RNA)
where:
Base-Base interactions energy: -236.637
where: short stacking energy: -107.726
Base-Backbone interact. energy: -0.188
local terms energy: -119.018038
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -329.979770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.979770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.979770 (E_RNA)
where:
Base-Base interactions energy: -216.522
where: short stacking energy: -104.888
Base-Backbone interact. energy: -0.166
local terms energy: -113.291892
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -29.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -278.098036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.098036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.098036 (E_RNA)
where:
Base-Base interactions energy: -171.884
where: short stacking energy: -84.946
Base-Backbone interact. energy: -0.184
local terms energy: -106.029975
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -25.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -301.311458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.311458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.311458 (E_RNA)
where:
Base-Base interactions energy: -196.879
where: short stacking energy: -84.517
Base-Backbone interact. energy: -0.133
local terms energy: -104.300172
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -25.767
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: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -279.931476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.931476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.931476 (E_RNA)
where:
Base-Base interactions energy: -174.991
where: short stacking energy: -82.112
Base-Backbone interact. energy: -0.047
local terms energy: -104.894174
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -28.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -243.785388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.785388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.785388 (E_RNA)
where:
Base-Base interactions energy: -144.076
where: short stacking energy: -73.440
Base-Backbone interact. energy: -0.120
local terms energy: -99.588915
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -241.736879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.736879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.736879 (E_RNA)
where:
Base-Base interactions energy: -142.770
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.678
local terms energy: -98.288405
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -20.341
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: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -120.686729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.686729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.686729 (E_RNA)
where:
Base-Base interactions energy: -36.646
where: short stacking energy: -25.836
Base-Backbone interact. energy: -0.363
local terms energy: -83.677873
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -2.496
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: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -213.804008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.804008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.804008 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.306
local terms energy: -90.785657
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -109.735334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.735334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.735334 (E_RNA)
where:
Base-Base interactions energy: -36.350
where: short stacking energy: -32.034
Base-Backbone interact. energy: -0.076
local terms energy: -73.309131
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -4.720
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: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -365.486469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.486469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.486469 (E_RNA)
where:
Base-Base interactions energy: -238.509
where: short stacking energy: -105.274
Base-Backbone interact. energy: 0.622
local terms energy: -127.599638
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -27.102
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -34.860
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: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -320.804286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.804286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.804286 (E_RNA)
where:
Base-Base interactions energy: -204.861
where: short stacking energy: -102.496
Base-Backbone interact. energy: -0.479
local terms energy: -115.464519
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -34.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -273.079051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.079051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.079051 (E_RNA)
where:
Base-Base interactions energy: -167.783
where: short stacking energy: -88.710
Base-Backbone interact. energy: -0.113
local terms energy: -105.183053
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -22.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -302.945887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.945887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.945887 (E_RNA)
where:
Base-Base interactions energy: -196.140
where: short stacking energy: -95.317
Base-Backbone interact. energy: -0.562
local terms energy: -106.243492
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -23.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -286.754026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.754026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.754026 (E_RNA)
where:
Base-Base interactions energy: -175.605
where: short stacking energy: -83.949
Base-Backbone interact. energy: -0.247
local terms energy: -110.902459
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -15.545
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: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -236.100338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.100338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.100338 (E_RNA)
where:
Base-Base interactions energy: -142.028
where: short stacking energy: -66.909
Base-Backbone interact. energy: -0.623
local terms energy: -93.448980
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -234.705655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.705655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.705655 (E_RNA)
where:
Base-Base interactions energy: -143.898
where: short stacking energy: -59.336
Base-Backbone interact. energy: -0.246
local terms energy: -90.562186
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -226.447967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.447967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.447967 (E_RNA)
where:
Base-Base interactions energy: -128.628
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.275
local terms energy: -97.544699
where:
bonds (distance) C4'-P energy: -25.666
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -125.775609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.775609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.775609 (E_RNA)
where:
Base-Base interactions energy: -43.158
where: short stacking energy: -31.904
Base-Backbone interact. energy: 1.756
local terms energy: -84.374042
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -113.455660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.455660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.455660 (E_RNA)
where:
Base-Base interactions energy: -40.680
where: short stacking energy: -40.680
Base-Backbone interact. energy: -0.151
local terms energy: -72.624167
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -2.698
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: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -342.017806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.017806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.017806 (E_RNA)
where:
Base-Base interactions energy: -220.396
where: short stacking energy: -112.679
Base-Backbone interact. energy: -0.354
local terms energy: -121.267403
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -35.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -338.512342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.512342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.512342 (E_RNA)
where:
Base-Base interactions energy: -222.773
where: short stacking energy: -108.306
Base-Backbone interact. energy: 0.509
local terms energy: -116.248349
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -32.134
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: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -316.416386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.416386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.416386 (E_RNA)
where:
Base-Base interactions energy: -210.530
where: short stacking energy: -92.874
Base-Backbone interact. energy: -0.108
local terms energy: -105.778348
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -24.528
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: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -264.112995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.112995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.112995 (E_RNA)
where:
Base-Base interactions energy: -166.238
where: short stacking energy: -88.093
Base-Backbone interact. energy: -0.036
local terms energy: -97.838145
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -247.400711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.400711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.400711 (E_RNA)
where:
Base-Base interactions energy: -140.363
where: short stacking energy: -58.336
Base-Backbone interact. energy: -0.214
local terms energy: -106.823811
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -278.349505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.349505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.349505 (E_RNA)
where:
Base-Base interactions energy: -169.995
where: short stacking energy: -81.690
Base-Backbone interact. energy: -1.191
local terms energy: -107.162955
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -213.242471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.242471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.242471 (E_RNA)
where:
Base-Base interactions energy: -129.822
where: short stacking energy: -64.097
Base-Backbone interact. energy: -1.147
local terms energy: -82.273599
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -230.649120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.649120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.649120 (E_RNA)
where:
Base-Base interactions energy: -144.214
where: short stacking energy: -66.486
Base-Backbone interact. energy: 0.839
local terms energy: -87.274076
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -10.957
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: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -103.795959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.795959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.795959 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -38.926
Base-Backbone interact. energy: -0.267
local terms energy: -62.062091
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -120.161785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.161785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.161785 (E_RNA)
where:
Base-Base interactions energy: -50.677
where: short stacking energy: -50.129
Base-Backbone interact. energy: -0.155
local terms energy: -69.330167
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -343.051698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.051698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.051698 (E_RNA)
where:
Base-Base interactions energy: -219.746
where: short stacking energy: -112.612
Base-Backbone interact. energy: -0.012
local terms energy: -123.293272
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -28.040
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -34.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -316.844533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.844533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.844533 (E_RNA)
where:
Base-Base interactions energy: -203.476
where: short stacking energy: -105.374
Base-Backbone interact. energy: -0.016
local terms energy: -113.352943
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -33.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -330.939959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.939959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.939959 (E_RNA)
where:
Base-Base interactions energy: -218.417
where: short stacking energy: -101.089
Base-Backbone interact. energy: 2.630
local terms energy: -115.153300
where:
bonds (distance) C4'-P energy: -24.564
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -26.721
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: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -265.119934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.119934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.119934 (E_RNA)
where:
Base-Base interactions energy: -156.983
where: short stacking energy: -79.612
Base-Backbone interact. energy: -0.087
local terms energy: -108.050440
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -260.550363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.550363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.550363 (E_RNA)
where:
Base-Base interactions energy: -155.124
where: short stacking energy: -84.577
Base-Backbone interact. energy: -0.074
local terms energy: -105.351956
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -29.069
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: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -286.174282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.174282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.174282 (E_RNA)
where:
Base-Base interactions energy: -195.288
where: short stacking energy: -92.554
Base-Backbone interact. energy: -0.025
local terms energy: -90.860704
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -22.968
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: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -242.005067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.005067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.005067 (E_RNA)
where:
Base-Base interactions energy: -149.978
where: short stacking energy: -63.673
Base-Backbone interact. energy: -0.981
local terms energy: -91.046038
where:
bonds (distance) C4'-P energy: -25.616
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -227.667948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.667948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.667948 (E_RNA)
where:
Base-Base interactions energy: -140.254
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.092
local terms energy: -87.322288
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -9.043
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: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -117.665251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.665251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.665251 (E_RNA)
where:
Base-Base interactions energy: -49.961
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.272
local terms energy: -67.432078
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -108.849544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.849544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.849544 (E_RNA)
where:
Base-Base interactions energy: -39.857
where: short stacking energy: -18.226
Base-Backbone interact. energy: -0.224
local terms energy: -68.767861
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: 6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -320.014291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.014291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.014291 (E_RNA)
where:
Base-Base interactions energy: -212.055
where: short stacking energy: -96.130
Base-Backbone interact. energy: 0.861
local terms energy: -108.820130
where:
bonds (distance) C4'-P energy: -25.021
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -26.330
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: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -344.208647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.208647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.208647 (E_RNA)
where:
Base-Base interactions energy: -223.933
where: short stacking energy: -103.255
Base-Backbone interact. energy: -0.433
local terms energy: -119.842386
where:
bonds (distance) C4'-P energy: -25.399
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -31.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -318.390479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.390479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.390479 (E_RNA)
where:
Base-Base interactions energy: -218.733
where: short stacking energy: -87.475
Base-Backbone interact. energy: -2.089
local terms energy: -97.569251
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -22.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -272.474257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.474257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.474257 (E_RNA)
where:
Base-Base interactions energy: -172.620
where: short stacking energy: -90.589
Base-Backbone interact. energy: -0.250
local terms energy: -99.604491
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -14.340
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: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -307.567771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.567771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.567771 (E_RNA)
where:
Base-Base interactions energy: -186.696
where: short stacking energy: -91.547
Base-Backbone interact. energy: -0.298
local terms energy: -120.573496
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -27.629
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -258.400179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.400179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.400179 (E_RNA)
where:
Base-Base interactions energy: -160.054
where: short stacking energy: -78.384
Base-Backbone interact. energy: 1.092
local terms energy: -99.438178
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -227.226134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.226134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.226134 (E_RNA)
where:
Base-Base interactions energy: -138.195
where: short stacking energy: -54.178
Base-Backbone interact. energy: -0.537
local terms energy: -88.494163
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -9.889
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: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -226.609696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.609696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.609696 (E_RNA)
where:
Base-Base interactions energy: -141.190
where: short stacking energy: -71.465
Base-Backbone interact. energy: -0.386
local terms energy: -85.034167
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -128.890837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.890837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.890837 (E_RNA)
where:
Base-Base interactions energy: -47.619
where: short stacking energy: -41.108
Base-Backbone interact. energy: -0.202
local terms energy: -81.070591
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -4.756
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: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -109.992770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.992770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.992770 (E_RNA)
where:
Base-Base interactions energy: -36.250
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.363
local terms energy: -73.380543
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -1.716
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: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -326.786384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.786384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.786384 (E_RNA)
where:
Base-Base interactions energy: -207.213
where: short stacking energy: -104.573
Base-Backbone interact. energy: -0.009
local terms energy: -119.564904
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -28.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -335.734395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.734395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.734395 (E_RNA)
where:
Base-Base interactions energy: -228.025
where: short stacking energy: -109.896
Base-Backbone interact. energy: -0.162
local terms energy: -107.547448
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -32.776
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: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -325.449597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.449597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.449597 (E_RNA)
where:
Base-Base interactions energy: -208.195
where: short stacking energy: -100.775
Base-Backbone interact. energy: -0.166
local terms energy: -117.089061
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -33.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -299.391228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.391228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.391228 (E_RNA)
where:
Base-Base interactions energy: -196.714
where: short stacking energy: -90.108
Base-Backbone interact. energy: -0.004
local terms energy: -102.673508
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -27.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -242.778264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.778264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.778264 (E_RNA)
where:
Base-Base interactions energy: -149.939
where: short stacking energy: -77.045
Base-Backbone interact. energy: 5.807
local terms energy: -98.645520
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -15.846
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: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -230.314867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.314867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.314867 (E_RNA)
where:
Base-Base interactions energy: -148.118
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.632
local terms energy: -81.564357
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -234.170404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.170404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.170404 (E_RNA)
where:
Base-Base interactions energy: -144.481
where: short stacking energy: -65.801
Base-Backbone interact. energy: -0.144
local terms energy: -89.544896
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -24.573
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -140.665179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.665179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.665179 (E_RNA)
where:
Base-Base interactions energy: -63.004
where: short stacking energy: -47.957
Base-Backbone interact. energy: -0.121
local terms energy: -77.540086
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -223.841338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841338 (E_RNA)
where:
Base-Base interactions energy: -138.384
where: short stacking energy: -61.567
Base-Backbone interact. energy: 2.361
local terms energy: -87.818100
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -14.148
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: 459
Temperature: 1.350000
Total energy: -110.502112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.502112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.502112 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -37.847
Base-Backbone interact. energy: -0.170
local terms energy: -72.484938
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -340.319721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.319721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.319721 (E_RNA)
where:
Base-Base interactions energy: -214.720
where: short stacking energy: -101.120
Base-Backbone interact. energy: -0.691
local terms energy: -124.908806
where:
bonds (distance) C4'-P energy: -25.343
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -32.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -331.779035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.779035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.779035 (E_RNA)
where:
Base-Base interactions energy: -218.265
where: short stacking energy: -98.227
Base-Backbone interact. energy: -0.006
local terms energy: -113.507736
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -28.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -303.927944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.927944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.927944 (E_RNA)
where:
Base-Base interactions energy: -191.239
where: short stacking energy: -92.221
Base-Backbone interact. energy: -0.060
local terms energy: -112.629079
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -29.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -294.662378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.662378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.662378 (E_RNA)
where:
Base-Base interactions energy: -193.120
where: short stacking energy: -94.253
Base-Backbone interact. energy: -0.179
local terms energy: -101.363565
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -24.776
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: 460
Temperature: 1.100000
Total energy: -253.799095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.799095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.799095 (E_RNA)
where:
Base-Base interactions energy: -165.399
where: short stacking energy: -96.704
Base-Backbone interact. energy: -0.046
local terms energy: -88.354096
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -8.883
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: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -235.352339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.352339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.352339 (E_RNA)
where:
Base-Base interactions energy: -144.847
where: short stacking energy: -71.230
Base-Backbone interact. energy: -0.790
local terms energy: -89.714917
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -17.042
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: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -240.306383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.306383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.306383 (E_RNA)
where:
Base-Base interactions energy: -142.423
where: short stacking energy: -81.426
Base-Backbone interact. energy: 1.320
local terms energy: -99.202877
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -22.915
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: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -120.021072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.021072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.021072 (E_RNA)
where:
Base-Base interactions energy: -42.982
where: short stacking energy: -40.566
Base-Backbone interact. energy: 1.070
local terms energy: -78.108770
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -204.359346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.359346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.359346 (E_RNA)
where:
Base-Base interactions energy: -104.492
where: short stacking energy: -40.622
Base-Backbone interact. energy: -0.251
local terms energy: -99.616523
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -11.396
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: 460
Temperature: 1.350000
Total energy: -110.443580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.443580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.443580 (E_RNA)
where:
Base-Base interactions energy: -30.277
where: short stacking energy: -30.755
Base-Backbone interact. energy: -0.412
local terms energy: -79.754654
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: 2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -328.736915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.736915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.736915 (E_RNA)
where:
Base-Base interactions energy: -214.308
where: short stacking energy: -108.204
Base-Backbone interact. energy: 0.132
local terms energy: -114.560984
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -28.022
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: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -320.973614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.973614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.973614 (E_RNA)
where:
Base-Base interactions energy: -213.368
where: short stacking energy: -105.479
Base-Backbone interact. energy: -0.012
local terms energy: -107.593103
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -301.903495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.903495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.903495 (E_RNA)
where:
Base-Base interactions energy: -193.808
where: short stacking energy: -94.010
Base-Backbone interact. energy: 1.373
local terms energy: -109.468778
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -26.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -291.676269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.676269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.676269 (E_RNA)
where:
Base-Base interactions energy: -185.696
where: short stacking energy: -90.540
Base-Backbone interact. energy: -0.060
local terms energy: -105.919978
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -28.067
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: 461
Temperature: 1.100000
Total energy: -263.390473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.390473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.390473 (E_RNA)
where:
Base-Base interactions energy: -159.697
where: short stacking energy: -87.785
Base-Backbone interact. energy: -0.224
local terms energy: -103.469880
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -257.689400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.689400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.689400 (E_RNA)
where:
Base-Base interactions energy: -152.096
where: short stacking energy: -72.167
Base-Backbone interact. energy: -0.055
local terms energy: -105.537986
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -229.093925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.093925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.093925 (E_RNA)
where:
Base-Base interactions energy: -135.425
where: short stacking energy: -66.241
Base-Backbone interact. energy: 0.634
local terms energy: -94.302619
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -240.447535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.447535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.447535 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -79.226
Base-Backbone interact. energy: -0.206
local terms energy: -98.128136
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -130.046943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.046943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.046943 (E_RNA)
where:
Base-Base interactions energy: -48.179
where: short stacking energy: -48.627
Base-Backbone interact. energy: -0.351
local terms energy: -81.517182
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -113.204223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.204223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.204223 (E_RNA)
where:
Base-Base interactions energy: -37.644
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.032
local terms energy: -75.528235
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -332.549515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.549515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.549515 (E_RNA)
where:
Base-Base interactions energy: -215.665
where: short stacking energy: -104.661
Base-Backbone interact. energy: -0.436
local terms energy: -116.448342
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -31.134
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: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -319.297262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.297262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.297262 (E_RNA)
where:
Base-Base interactions energy: -213.431
where: short stacking energy: -97.385
Base-Backbone interact. energy: -0.094
local terms energy: -105.772513
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -25.822
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -25.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -290.840536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.840536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.840536 (E_RNA)
where:
Base-Base interactions energy: -188.046
where: short stacking energy: -92.245
Base-Backbone interact. energy: -0.145
local terms energy: -102.649364
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -298.838915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.838915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.838915 (E_RNA)
where:
Base-Base interactions energy: -190.382
where: short stacking energy: -93.843
Base-Backbone interact. energy: -0.050
local terms energy: -108.407384
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -262.172297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.172297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.172297 (E_RNA)
where:
Base-Base interactions energy: -162.774
where: short stacking energy: -82.063
Base-Backbone interact. energy: 2.559
local terms energy: -101.958083
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -250.490531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.490531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.490531 (E_RNA)
where:
Base-Base interactions energy: -160.910
where: short stacking energy: -94.204
Base-Backbone interact. energy: -0.973
local terms energy: -88.607498
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -21.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -232.519560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.519560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.519560 (E_RNA)
where:
Base-Base interactions energy: -142.362
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.350
local terms energy: -89.807612
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -14.363
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: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -231.757872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.757872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.757872 (E_RNA)
where:
Base-Base interactions energy: -143.540
where: short stacking energy: -59.251
Base-Backbone interact. energy: -0.305
local terms energy: -87.913252
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -22.615
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -123.267692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.267692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.267692 (E_RNA)
where:
Base-Base interactions energy: -48.036
where: short stacking energy: -35.520
Base-Backbone interact. energy: -0.589
local terms energy: -74.643131
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -110.306728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.306728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.306728 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -31.465
Base-Backbone interact. energy: 0.324
local terms energy: -78.685873
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -338.809242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.809242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.809242 (E_RNA)
where:
Base-Base interactions energy: -220.035
where: short stacking energy: -95.752
Base-Backbone interact. energy: -0.100
local terms energy: -118.674863
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -27.629
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: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -323.475242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.475242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.475242 (E_RNA)
where:
Base-Base interactions energy: -212.437
where: short stacking energy: -99.256
Base-Backbone interact. energy: -0.018
local terms energy: -111.019654
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -29.299
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: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -307.204061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.204061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.204061 (E_RNA)
where:
Base-Base interactions energy: -188.097
where: short stacking energy: -99.045
Base-Backbone interact. energy: -0.004
local terms energy: -119.103814
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -30.594
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: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -263.429346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.429346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.429346 (E_RNA)
where:
Base-Base interactions energy: -172.874
where: short stacking energy: -81.172
Base-Backbone interact. energy: -0.051
local terms energy: -90.504900
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -285.955564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.955564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.955564 (E_RNA)
where:
Base-Base interactions energy: -181.554
where: short stacking energy: -94.790
Base-Backbone interact. energy: -0.497
local terms energy: -103.904949
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -25.389
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: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -250.746416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.746416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.746416 (E_RNA)
where:
Base-Base interactions energy: -158.785
where: short stacking energy: -79.597
Base-Backbone interact. energy: -0.411
local terms energy: -91.550555
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -279.043024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.043024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.043024 (E_RNA)
where:
Base-Base interactions energy: -181.072
where: short stacking energy: -76.945
Base-Backbone interact. energy: -0.167
local terms energy: -97.803620
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -24.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -240.755101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.755101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.755101 (E_RNA)
where:
Base-Base interactions energy: -148.294
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.105
local terms energy: -92.356059
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -108.955714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.955714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.955714 (E_RNA)
where:
Base-Base interactions energy: -31.608
where: short stacking energy: -30.071
Base-Backbone interact. energy: 0.160
local terms energy: -77.507999
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -113.635730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.635730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.635730 (E_RNA)
where:
Base-Base interactions energy: -40.536
where: short stacking energy: -34.067
Base-Backbone interact. energy: -0.358
local terms energy: -72.741566
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: 1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -327.188380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.188380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.188380 (E_RNA)
where:
Base-Base interactions energy: -203.264
where: short stacking energy: -101.169
Base-Backbone interact. energy: 1.709
local terms energy: -125.633708
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -31.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -318.472238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.472238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.472238 (E_RNA)
where:
Base-Base interactions energy: -203.681
where: short stacking energy: -107.753
Base-Backbone interact. energy: -0.002
local terms energy: -114.789738
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -30.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -276.505571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.505571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.505571 (E_RNA)
where:
Base-Base interactions energy: -170.875
where: short stacking energy: -92.165
Base-Backbone interact. energy: -0.059
local terms energy: -105.571923
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -288.588310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.588310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.588310 (E_RNA)
where:
Base-Base interactions energy: -183.451
where: short stacking energy: -79.188
Base-Backbone interact. energy: -0.048
local terms energy: -105.088471
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -24.195
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -292.320926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.320926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.320926 (E_RNA)
where:
Base-Base interactions energy: -194.121
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.078
local terms energy: -98.122475
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -23.083
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: 464
Temperature: 1.150000
Total energy: -260.538274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.538274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.538274 (E_RNA)
where:
Base-Base interactions energy: -166.166
where: short stacking energy: -78.886
Base-Backbone interact. energy: -0.904
local terms energy: -93.468313
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -11.793
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: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -251.951238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.951238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.951238 (E_RNA)
where:
Base-Base interactions energy: -164.935
where: short stacking energy: -77.126
Base-Backbone interact. energy: -1.371
local terms energy: -85.645169
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -214.058425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.058425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.058425 (E_RNA)
where:
Base-Base interactions energy: -128.751
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.837
local terms energy: -84.470107
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -119.550346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.550346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.550346 (E_RNA)
where:
Base-Base interactions energy: -50.298
where: short stacking energy: -39.211
Base-Backbone interact. energy: 2.250
local terms energy: -71.502042
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -180.482127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.482127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.482127 (E_RNA)
where:
Base-Base interactions energy: -101.219
where: short stacking energy: -56.285
Base-Backbone interact. energy: 1.135
local terms energy: -80.398143
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -10.449
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: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -336.023415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.023415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.023415 (E_RNA)
where:
Base-Base interactions energy: -223.193
where: short stacking energy: -105.863
Base-Backbone interact. energy: -0.797
local terms energy: -112.033464
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -32.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -301.428074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.428074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.428074 (E_RNA)
where:
Base-Base interactions energy: -182.864
where: short stacking energy: -90.603
Base-Backbone interact. energy: -0.042
local terms energy: -118.521827
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -27.090
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: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -266.441640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.441640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.441640 (E_RNA)
where:
Base-Base interactions energy: -168.963
where: short stacking energy: -94.156
Base-Backbone interact. energy: -0.050
local terms energy: -97.428264
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -301.671446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.671446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.671446 (E_RNA)
where:
Base-Base interactions energy: -193.639
where: short stacking energy: -86.439
Base-Backbone interact. energy: -0.054
local terms energy: -107.978687
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -16.353
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: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -269.418564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.418564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.418564 (E_RNA)
where:
Base-Base interactions energy: -160.025
where: short stacking energy: -73.554
Base-Backbone interact. energy: 0.838
local terms energy: -110.231289
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -24.603
flat angles P-C4'-P energy: -18.175
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -284.952339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.952339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.952339 (E_RNA)
where:
Base-Base interactions energy: -184.563
where: short stacking energy: -87.337
Base-Backbone interact. energy: -0.112
local terms energy: -100.277914
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -23.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -236.331741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.331741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.331741 (E_RNA)
where:
Base-Base interactions energy: -145.797
where: short stacking energy: -72.143
Base-Backbone interact. energy: -0.082
local terms energy: -90.452725
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -14.541
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: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -220.486066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.486066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.486066 (E_RNA)
where:
Base-Base interactions energy: -125.795
where: short stacking energy: -63.667
Base-Backbone interact. energy: 0.395
local terms energy: -95.085527
where:
bonds (distance) C4'-P energy: -23.612
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -18.601
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: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -127.311026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.311026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.311026 (E_RNA)
where:
Base-Base interactions energy: -44.838
where: short stacking energy: -38.650
Base-Backbone interact. energy: -0.419
local terms energy: -82.053141
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -6.057
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: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -163.850481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.850481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.850481 (E_RNA)
where:
Base-Base interactions energy: -97.986
where: short stacking energy: -46.016
Base-Backbone interact. energy: -0.788
local terms energy: -65.077459
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -358.418394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.418394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.418394 (E_RNA)
where:
Base-Base interactions energy: -239.958
where: short stacking energy: -110.646
Base-Backbone interact. energy: 1.084
local terms energy: -119.543550
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -34.507
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: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -291.436089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.436089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.436089 (E_RNA)
where:
Base-Base interactions energy: -185.201
where: short stacking energy: -84.910
Base-Backbone interact. energy: -0.175
local terms energy: -106.059852
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -25.285
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -21.143
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: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -311.527096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.527096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.527096 (E_RNA)
where:
Base-Base interactions energy: -201.718
where: short stacking energy: -105.086
Base-Backbone interact. energy: -0.004
local terms energy: -109.804852
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -24.574
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -25.536
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: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -269.048213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.048213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.048213 (E_RNA)
where:
Base-Base interactions energy: -174.829
where: short stacking energy: -82.693
Base-Backbone interact. energy: -0.219
local terms energy: -93.999724
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -13.402
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: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -292.399475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.399475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.399475 (E_RNA)
where:
Base-Base interactions energy: -183.620
where: short stacking energy: -84.849
Base-Backbone interact. energy: -0.140
local terms energy: -108.639014
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -24.688
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: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -286.895388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.895388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.895388 (E_RNA)
where:
Base-Base interactions energy: -170.914
where: short stacking energy: -86.200
Base-Backbone interact. energy: -0.385
local terms energy: -115.596980
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -247.432584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.432584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.432584 (E_RNA)
where:
Base-Base interactions energy: -152.269
where: short stacking energy: -82.209
Base-Backbone interact. energy: -0.397
local terms energy: -94.766536
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -23.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -226.647339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.647339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.647339 (E_RNA)
where:
Base-Base interactions energy: -140.260
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.199
local terms energy: -86.187637
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -128.607198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.607198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.607198 (E_RNA)
where:
Base-Base interactions energy: -56.981
where: short stacking energy: -39.583
Base-Backbone interact. energy: -0.757
local terms energy: -70.869677
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -8.447
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: 466
Temperature: 1.350000
Total energy: -101.780554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.780554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.780554 (E_RNA)
where:
Base-Base interactions energy: -39.439
where: short stacking energy: -34.378
Base-Backbone interact. energy: -0.208
local terms energy: -62.132716
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: 1.537
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: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -373.741257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.741257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.741257 (E_RNA)
where:
Base-Base interactions energy: -251.337
where: short stacking energy: -118.039
Base-Backbone interact. energy: -0.054
local terms energy: -122.350451
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -35.118
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: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -328.984473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.984473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.984473 (E_RNA)
where:
Base-Base interactions energy: -209.186
where: short stacking energy: -105.280
Base-Backbone interact. energy: -0.521
local terms energy: -119.277460
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -35.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -302.660387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.660387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.660387 (E_RNA)
where:
Base-Base interactions energy: -196.579
where: short stacking energy: -99.454
Base-Backbone interact. energy: -0.245
local terms energy: -105.836757
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -251.253356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.253356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.253356 (E_RNA)
where:
Base-Base interactions energy: -156.369
where: short stacking energy: -76.101
Base-Backbone interact. energy: 0.933
local terms energy: -95.816930
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -247.582520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.582520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.582520 (E_RNA)
where:
Base-Base interactions energy: -144.209
where: short stacking energy: -68.665
Base-Backbone interact. energy: -0.348
local terms energy: -103.025212
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -14.649
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: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -279.334761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.334761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.334761 (E_RNA)
where:
Base-Base interactions energy: -184.953
where: short stacking energy: -87.295
Base-Backbone interact. energy: -0.332
local terms energy: -94.049153
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -256.762559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.762559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.762559 (E_RNA)
where:
Base-Base interactions energy: -154.246
where: short stacking energy: -81.963
Base-Backbone interact. energy: 0.165
local terms energy: -102.681805
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -24.555
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -221.981153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.981153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.981153 (E_RNA)
where:
Base-Base interactions energy: -135.198
where: short stacking energy: -66.201
Base-Backbone interact. energy: 0.349
local terms energy: -87.132135
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -111.367608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.367608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.367608 (E_RNA)
where:
Base-Base interactions energy: -30.402
where: short stacking energy: -30.850
Base-Backbone interact. energy: -1.256
local terms energy: -79.709721
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -99.196572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.196572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.196572 (E_RNA)
where:
Base-Base interactions energy: -33.680
where: short stacking energy: -32.843
Base-Backbone interact. energy: -0.764
local terms energy: -64.753106
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: 1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -363.268890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.268890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.268890 (E_RNA)
where:
Base-Base interactions energy: -238.312
where: short stacking energy: -110.018
Base-Backbone interact. energy: -0.094
local terms energy: -124.862879
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -37.214
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: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -324.446185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.446185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.446185 (E_RNA)
where:
Base-Base interactions energy: -208.246
where: short stacking energy: -101.287
Base-Backbone interact. energy: 0.051
local terms energy: -116.252042
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -32.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -307.882040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.882040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.882040 (E_RNA)
where:
Base-Base interactions energy: -205.151
where: short stacking energy: -94.845
Base-Backbone interact. energy: -0.508
local terms energy: -102.222607
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -29.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -280.884201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.884201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.884201 (E_RNA)
where:
Base-Base interactions energy: -191.490
where: short stacking energy: -80.185
Base-Backbone interact. energy: -1.323
local terms energy: -88.072038
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -17.943
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: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -294.401922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.401922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.401922 (E_RNA)
where:
Base-Base interactions energy: -192.540
where: short stacking energy: -90.295
Base-Backbone interact. energy: -0.125
local terms energy: -101.736281
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -25.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -245.494603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.494603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.494603 (E_RNA)
where:
Base-Base interactions energy: -148.370
where: short stacking energy: -70.458
Base-Backbone interact. energy: -0.411
local terms energy: -96.714126
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -9.033
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: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -238.315494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.315494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.315494 (E_RNA)
where:
Base-Base interactions energy: -143.942
where: short stacking energy: -55.922
Base-Backbone interact. energy: -1.348
local terms energy: -93.025464
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -222.752005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.752005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.752005 (E_RNA)
where:
Base-Base interactions energy: -134.996
where: short stacking energy: -60.352
Base-Backbone interact. energy: -0.420
local terms energy: -87.335938
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -117.103381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.103381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.103381 (E_RNA)
where:
Base-Base interactions energy: -35.389
where: short stacking energy: -34.460
Base-Backbone interact. energy: -0.005
local terms energy: -81.709532
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -106.306871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.306871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.306871 (E_RNA)
where:
Base-Base interactions energy: -26.952
where: short stacking energy: -27.284
Base-Backbone interact. energy: -0.958
local terms energy: -78.396244
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -343.952193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.952193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.952193 (E_RNA)
where:
Base-Base interactions energy: -231.523
where: short stacking energy: -109.279
Base-Backbone interact. energy: -0.079
local terms energy: -112.350564
where:
bonds (distance) C4'-P energy: -25.514
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -301.878217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.878217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.878217 (E_RNA)
where:
Base-Base interactions energy: -193.497
where: short stacking energy: -96.985
Base-Backbone interact. energy: -0.059
local terms energy: -108.322401
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -26.085
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -29.914
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: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -309.324027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.324027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.324027 (E_RNA)
where:
Base-Base interactions energy: -190.887
where: short stacking energy: -92.718
Base-Backbone interact. energy: -1.117
local terms energy: -117.320699
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -306.202401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.202401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.202401 (E_RNA)
where:
Base-Base interactions energy: -206.981
where: short stacking energy: -85.641
Base-Backbone interact. energy: 0.339
local terms energy: -99.560226
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -25.765
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -14.685
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: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -273.242029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.242029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.242029 (E_RNA)
where:
Base-Base interactions energy: -188.308
where: short stacking energy: -95.523
Base-Backbone interact. energy: -0.192
local terms energy: -84.741974
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -237.964716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.964716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.964716 (E_RNA)
where:
Base-Base interactions energy: -151.815
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.846
local terms energy: -85.303934
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -12.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -221.511610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.511610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.511610 (E_RNA)
where:
Base-Base interactions energy: -125.797
where: short stacking energy: -70.536
Base-Backbone interact. energy: -0.253
local terms energy: -95.460792
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -19.214
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: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -225.911597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.911597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.911597 (E_RNA)
where:
Base-Base interactions energy: -139.374
where: short stacking energy: -57.252
Base-Backbone interact. energy: -0.715
local terms energy: -85.822912
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -112.862511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.862511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.862511 (E_RNA)
where:
Base-Base interactions energy: -46.899
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.246
local terms energy: -65.716802
where:
bonds (distance) C4'-P energy: -24.346
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -105.752606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.752606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.752606 (E_RNA)
where:
Base-Base interactions energy: -33.500
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.434
local terms energy: -71.818820
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -12.647
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: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -351.222253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.222253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.222253 (E_RNA)
where:
Base-Base interactions energy: -227.674
where: short stacking energy: -107.218
Base-Backbone interact. energy: -0.142
local terms energy: -123.405997
where:
bonds (distance) C4'-P energy: -25.482
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -20.435
tors. eta vs tors. theta energy: -32.069
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: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -326.009094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.009094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.009094 (E_RNA)
where:
Base-Base interactions energy: -202.684
where: short stacking energy: -107.349
Base-Backbone interact. energy: -0.060
local terms energy: -123.265711
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -289.971750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.971750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.971750 (E_RNA)
where:
Base-Base interactions energy: -187.107
where: short stacking energy: -92.386
Base-Backbone interact. energy: -0.302
local terms energy: -102.562831
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -309.387886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.387886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.387886 (E_RNA)
where:
Base-Base interactions energy: -205.208
where: short stacking energy: -96.560
Base-Backbone interact. energy: -0.215
local terms energy: -103.964706
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -23.319
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -259.650119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.650119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.650119 (E_RNA)
where:
Base-Base interactions energy: -159.298
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.117
local terms energy: -100.235224
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -16.757
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: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -284.575731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.575731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.575731 (E_RNA)
where:
Base-Base interactions energy: -172.579
where: short stacking energy: -83.767
Base-Backbone interact. energy: -0.053
local terms energy: -111.943099
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -25.317
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: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -223.769252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.769252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.769252 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.508
local terms energy: -90.875366
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -211.191421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.191421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.191421 (E_RNA)
where:
Base-Base interactions energy: -120.273
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.238
local terms energy: -90.680423
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -118.468072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.468072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.468072 (E_RNA)
where:
Base-Base interactions energy: -57.615
where: short stacking energy: -31.091
Base-Backbone interact. energy: -0.586
local terms energy: -60.267479
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: 4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -117.661394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.661394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.661394 (E_RNA)
where:
Base-Base interactions energy: -46.521
where: short stacking energy: -38.187
Base-Backbone interact. energy: -0.453
local terms energy: -70.687368
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -365.200029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.200029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.200029 (E_RNA)
where:
Base-Base interactions energy: -245.270
where: short stacking energy: -113.777
Base-Backbone interact. energy: -0.093
local terms energy: -119.837333
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -34.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -326.375287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.375287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.375287 (E_RNA)
where:
Base-Base interactions energy: -208.280
where: short stacking energy: -103.568
Base-Backbone interact. energy: -0.017
local terms energy: -118.078374
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -31.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -294.990498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.990498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.990498 (E_RNA)
where:
Base-Base interactions energy: -191.513
where: short stacking energy: -94.211
Base-Backbone interact. energy: -0.183
local terms energy: -103.294513
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -26.082
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: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -270.692234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.692234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.692234 (E_RNA)
where:
Base-Base interactions energy: -170.103
where: short stacking energy: -80.324
Base-Backbone interact. energy: 0.527
local terms energy: -101.116035
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -298.290192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.290192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.290192 (E_RNA)
where:
Base-Base interactions energy: -185.037
where: short stacking energy: -87.723
Base-Backbone interact. energy: -0.140
local terms energy: -113.113269
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -289.275641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.275641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.275641 (E_RNA)
where:
Base-Base interactions energy: -188.445
where: short stacking energy: -89.945
Base-Backbone interact. energy: -0.175
local terms energy: -100.656010
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -236.069781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.069781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.069781 (E_RNA)
where:
Base-Base interactions energy: -156.249
where: short stacking energy: -69.219
Base-Backbone interact. energy: -1.631
local terms energy: -78.189828
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -230.408126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.408126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.408126 (E_RNA)
where:
Base-Base interactions energy: -146.683
where: short stacking energy: -71.896
Base-Backbone interact. energy: -0.393
local terms energy: -83.332350
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -5.051
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: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -115.750625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.750625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.750625 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -37.088
Base-Backbone interact. energy: -0.309
local terms energy: -73.940236
where:
bonds (distance) C4'-P energy: -22.884
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -0.886
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: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -108.098964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.098964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.098964 (E_RNA)
where:
Base-Base interactions energy: -46.639
where: short stacking energy: -32.093
Base-Backbone interact. energy: 1.388
local terms energy: -62.847808
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -356.735936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.735936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.735936 (E_RNA)
where:
Base-Base interactions energy: -240.588
where: short stacking energy: -113.778
Base-Backbone interact. energy: -0.198
local terms energy: -115.949876
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -32.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -328.266410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.266410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.266410 (E_RNA)
where:
Base-Base interactions energy: -212.172
where: short stacking energy: -110.595
Base-Backbone interact. energy: -0.022
local terms energy: -116.071676
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -32.323
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: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -285.355541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.355541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.355541 (E_RNA)
where:
Base-Base interactions energy: -178.989
where: short stacking energy: -87.527
Base-Backbone interact. energy: -0.135
local terms energy: -106.231424
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -22.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -298.716351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.716351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.716351 (E_RNA)
where:
Base-Base interactions energy: -191.789
where: short stacking energy: -96.208
Base-Backbone interact. energy: -0.032
local terms energy: -106.895796
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -29.446
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: 472
Temperature: 1.100000
Total energy: -291.864723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.864723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.864723 (E_RNA)
where:
Base-Base interactions energy: -191.657
where: short stacking energy: -87.633
Base-Backbone interact. energy: -0.425
local terms energy: -99.782090
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -270.842059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.842059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.842059 (E_RNA)
where:
Base-Base interactions energy: -174.185
where: short stacking energy: -78.321
Base-Backbone interact. energy: -1.094
local terms energy: -95.563162
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -17.263
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: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -229.646202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.646202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.646202 (E_RNA)
where:
Base-Base interactions energy: -134.973
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.058
local terms energy: -94.615677
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -12.345
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: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -192.104630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104630 (E_RNA)
where:
Base-Base interactions energy: -112.619
where: short stacking energy: -53.585
Base-Backbone interact. energy: -0.347
local terms energy: -79.138930
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -187.570257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.570257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.570257 (E_RNA)
where:
Base-Base interactions energy: -113.624
where: short stacking energy: -47.201
Base-Backbone interact. energy: -0.286
local terms energy: -73.660677
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -12.130
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: 472
Temperature: 1.350000
Total energy: -103.367890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.367890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.367890 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -36.622
Base-Backbone interact. energy: 0.373
local terms energy: -67.118990
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: 0.845
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: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -366.635702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.635702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.635702 (E_RNA)
where:
Base-Base interactions energy: -240.863
where: short stacking energy: -106.730
Base-Backbone interact. energy: 0.607
local terms energy: -126.379448
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: -32.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -324.575230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.575230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.575230 (E_RNA)
where:
Base-Base interactions energy: -208.511
where: short stacking energy: -108.822
Base-Backbone interact. energy: -0.391
local terms energy: -115.673481
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -25.949
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -28.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -300.740014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.740014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.740014 (E_RNA)
where:
Base-Base interactions energy: -195.894
where: short stacking energy: -91.258
Base-Backbone interact. energy: -0.308
local terms energy: -104.538645
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -25.016
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -17.790
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: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -292.535197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.535197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.535197 (E_RNA)
where:
Base-Base interactions energy: -197.579
where: short stacking energy: -82.564
Base-Backbone interact. energy: -1.114
local terms energy: -93.841815
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -17.166
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: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -302.196266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.196266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.196266 (E_RNA)
where:
Base-Base interactions energy: -190.867
where: short stacking energy: -90.878
Base-Backbone interact. energy: -0.128
local terms energy: -111.201597
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -31.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -267.075213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.075213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.075213 (E_RNA)
where:
Base-Base interactions energy: -169.524
where: short stacking energy: -73.415
Base-Backbone interact. energy: -0.386
local terms energy: -97.165005
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -232.258561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.258561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.258561 (E_RNA)
where:
Base-Base interactions energy: -138.224
where: short stacking energy: -68.475
Base-Backbone interact. energy: -0.445
local terms energy: -93.589900
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -14.657
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: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -196.969228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.969228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.969228 (E_RNA)
where:
Base-Base interactions energy: -116.075
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.301
local terms energy: -80.592793
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -12.739
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: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -203.902819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.902819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.902819 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -48.805
Base-Backbone interact. energy: -0.230
local terms energy: -79.037755
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -14.268
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: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -97.980239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.980239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.980239 (E_RNA)
where:
Base-Base interactions energy: -32.509
where: short stacking energy: -32.070
Base-Backbone interact. energy: -0.088
local terms energy: -65.383447
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -375.226397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.226397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.226397 (E_RNA)
where:
Base-Base interactions energy: -246.279
where: short stacking energy: -115.187
Base-Backbone interact. energy: 0.323
local terms energy: -129.270278
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -33.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -324.049714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.049714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.049714 (E_RNA)
where:
Base-Base interactions energy: -210.147
where: short stacking energy: -108.031
Base-Backbone interact. energy: -0.058
local terms energy: -113.844723
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -319.132179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.132179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.132179 (E_RNA)
where:
Base-Base interactions energy: -206.752
where: short stacking energy: -102.142
Base-Backbone interact. energy: -0.858
local terms energy: -111.521789
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -266.192619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.192619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.192619 (E_RNA)
where:
Base-Base interactions energy: -171.515
where: short stacking energy: -73.049
Base-Backbone interact. energy: -1.232
local terms energy: -93.445123
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -303.177199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.177199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.177199 (E_RNA)
where:
Base-Base interactions energy: -202.431
where: short stacking energy: -94.133
Base-Backbone interact. energy: -0.283
local terms energy: -100.463366
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -24.388
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -261.551176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.551176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.551176 (E_RNA)
where:
Base-Base interactions energy: -168.521
where: short stacking energy: -74.631
Base-Backbone interact. energy: -0.536
local terms energy: -92.494595
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -241.422875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.422875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.422875 (E_RNA)
where:
Base-Base interactions energy: -150.008
where: short stacking energy: -56.852
Base-Backbone interact. energy: -1.315
local terms energy: -90.099910
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -209.210234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.210234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.210234 (E_RNA)
where:
Base-Base interactions energy: -131.109
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.313
local terms energy: -77.788558
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -194.453077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.453077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.453077 (E_RNA)
where:
Base-Base interactions energy: -111.317
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.088
local terms energy: -83.048089
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -114.572219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.572219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.572219 (E_RNA)
where:
Base-Base interactions energy: -43.694
where: short stacking energy: -38.308
Base-Backbone interact. energy: -0.694
local terms energy: -70.184863
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -360.046609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.046609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.046609 (E_RNA)
where:
Base-Base interactions energy: -236.211
where: short stacking energy: -107.271
Base-Backbone interact. energy: -1.072
local terms energy: -122.763597
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -33.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -330.881143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.881143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.881143 (E_RNA)
where:
Base-Base interactions energy: -210.024
where: short stacking energy: -99.774
Base-Backbone interact. energy: 0.552
local terms energy: -121.408622
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -27.259
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -27.502
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: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -308.630678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.630678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.630678 (E_RNA)
where:
Base-Base interactions energy: -199.798
where: short stacking energy: -94.716
Base-Backbone interact. energy: -0.051
local terms energy: -108.781621
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -29.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -294.320082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.320082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.320082 (E_RNA)
where:
Base-Base interactions energy: -196.542
where: short stacking energy: -87.278
Base-Backbone interact. energy: -0.376
local terms energy: -97.402408
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -21.563
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: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -256.150494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.150494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.150494 (E_RNA)
where:
Base-Base interactions energy: -163.436
where: short stacking energy: -77.093
Base-Backbone interact. energy: -0.237
local terms energy: -92.478366
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -274.064397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.064397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.064397 (E_RNA)
where:
Base-Base interactions energy: -170.192
where: short stacking energy: -66.176
Base-Backbone interact. energy: -0.265
local terms energy: -103.607350
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -14.983
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: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -266.745814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.745814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.745814 (E_RNA)
where:
Base-Base interactions energy: -179.093
where: short stacking energy: -87.797
Base-Backbone interact. energy: -0.110
local terms energy: -87.542470
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -26.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -228.572894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.572894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.572894 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -75.225
Base-Backbone interact. energy: -1.604
local terms energy: -92.021622
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -204.111440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.111440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.111440 (E_RNA)
where:
Base-Base interactions energy: -124.160
where: short stacking energy: -56.780
Base-Backbone interact. energy: -0.340
local terms energy: -79.611558
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -106.025060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.025060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.025060 (E_RNA)
where:
Base-Base interactions energy: -37.992
where: short stacking energy: -38.042
Base-Backbone interact. energy: -0.300
local terms energy: -67.733112
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -12.823
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: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -365.765761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.765761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.765761 (E_RNA)
where:
Base-Base interactions energy: -234.117
where: short stacking energy: -107.811
Base-Backbone interact. energy: 0.076
local terms energy: -131.724705
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -26.805
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -34.994
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: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -310.259752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.259752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.259752 (E_RNA)
where:
Base-Base interactions energy: -213.125
where: short stacking energy: -84.685
Base-Backbone interact. energy: -0.487
local terms energy: -96.648383
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -306.483739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.483739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.483739 (E_RNA)
where:
Base-Base interactions energy: -194.902
where: short stacking energy: -95.248
Base-Backbone interact. energy: -0.023
local terms energy: -111.558611
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -27.129
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: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -296.140349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.140349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.140349 (E_RNA)
where:
Base-Base interactions energy: -180.404
where: short stacking energy: -92.930
Base-Backbone interact. energy: -0.249
local terms energy: -115.487124
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -26.000
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -270.234519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.234519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.234519 (E_RNA)
where:
Base-Base interactions energy: -165.623
where: short stacking energy: -82.386
Base-Backbone interact. energy: 1.358
local terms energy: -105.969649
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -237.791317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.791317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.791317 (E_RNA)
where:
Base-Base interactions energy: -145.094
where: short stacking energy: -74.728
Base-Backbone interact. energy: -0.446
local terms energy: -92.251553
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -224.553340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.553340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.553340 (E_RNA)
where:
Base-Base interactions energy: -133.108
where: short stacking energy: -63.258
Base-Backbone interact. energy: -1.215
local terms energy: -90.230054
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -8.715
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: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -240.415382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.415382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.415382 (E_RNA)
where:
Base-Base interactions energy: -136.507
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.052
local terms energy: -103.856116
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -214.497317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.497317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.497317 (E_RNA)
where:
Base-Base interactions energy: -122.443
where: short stacking energy: -60.210
Base-Backbone interact. energy: -0.106
local terms energy: -91.948072
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -14.614
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: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -113.247102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.247102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.247102 (E_RNA)
where:
Base-Base interactions energy: -38.352
where: short stacking energy: -38.352
Base-Backbone interact. energy: -0.218
local terms energy: -74.676869
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -354.716319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.716319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.716319 (E_RNA)
where:
Base-Base interactions energy: -235.398
where: short stacking energy: -105.149
Base-Backbone interact. energy: -0.274
local terms energy: -119.043852
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -35.571
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: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -311.830633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.830633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.830633 (E_RNA)
where:
Base-Base interactions energy: -197.861
where: short stacking energy: -99.865
Base-Backbone interact. energy: -0.389
local terms energy: -113.580287
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -27.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -314.027972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.027972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.027972 (E_RNA)
where:
Base-Base interactions energy: -203.248
where: short stacking energy: -104.448
Base-Backbone interact. energy: -0.003
local terms energy: -110.777497
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -31.126
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: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -294.851952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.851952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.851952 (E_RNA)
where:
Base-Base interactions energy: -185.946
where: short stacking energy: -87.992
Base-Backbone interact. energy: -0.037
local terms energy: -108.868865
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -28.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -258.735481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.735481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.735481 (E_RNA)
where:
Base-Base interactions energy: -159.256
where: short stacking energy: -85.253
Base-Backbone interact. energy: -0.480
local terms energy: -98.999725
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -239.689615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.689615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.689615 (E_RNA)
where:
Base-Base interactions energy: -140.659
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.295
local terms energy: -98.735603
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -234.658896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.658896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.658896 (E_RNA)
where:
Base-Base interactions energy: -137.427
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.205
local terms energy: -97.027166
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -251.219840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.219840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.219840 (E_RNA)
where:
Base-Base interactions energy: -154.503
where: short stacking energy: -67.836
Base-Backbone interact. energy: -0.346
local terms energy: -96.370992
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -19.969
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: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -227.666166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.666166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.666166 (E_RNA)
where:
Base-Base interactions energy: -147.489
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.913
local terms energy: -79.264071
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -122.021175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.021175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.021175 (E_RNA)
where:
Base-Base interactions energy: -56.432
where: short stacking energy: -31.253
Base-Backbone interact. energy: 2.743
local terms energy: -68.332184
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: 2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -368.164465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.164465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.164465 (E_RNA)
where:
Base-Base interactions energy: -246.773
where: short stacking energy: -108.055
Base-Backbone interact. energy: -0.273
local terms energy: -121.118465
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -34.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -310.009503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.009503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.009503 (E_RNA)
where:
Base-Base interactions energy: -199.917
where: short stacking energy: -105.611
Base-Backbone interact. energy: -0.196
local terms energy: -109.896879
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -30.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -298.130160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.130160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.130160 (E_RNA)
where:
Base-Base interactions energy: -190.845
where: short stacking energy: -91.446
Base-Backbone interact. energy: -0.144
local terms energy: -107.140570
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -26.207
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -27.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -306.917062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.917062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.917062 (E_RNA)
where:
Base-Base interactions energy: -195.720
where: short stacking energy: -93.563
Base-Backbone interact. energy: -0.033
local terms energy: -111.163346
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -248.983577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.983577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.983577 (E_RNA)
where:
Base-Base interactions energy: -149.913
where: short stacking energy: -70.263
Base-Backbone interact. energy: -0.816
local terms energy: -98.254428
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -13.773
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: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -237.177453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.177453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.177453 (E_RNA)
where:
Base-Base interactions energy: -138.575
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.150
local terms energy: -98.452528
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -16.145
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: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -238.937262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.937262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.937262 (E_RNA)
where:
Base-Base interactions energy: -143.401
where: short stacking energy: -74.732
Base-Backbone interact. energy: -0.441
local terms energy: -95.096020
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -23.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -227.398215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.398215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.398215 (E_RNA)
where:
Base-Base interactions energy: -133.291
where: short stacking energy: -54.851
Base-Backbone interact. energy: -0.285
local terms energy: -93.822071
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -13.216
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: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -188.244658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.244658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.244658 (E_RNA)
where:
Base-Base interactions energy: -103.947
where: short stacking energy: -54.431
Base-Backbone interact. energy: -0.112
local terms energy: -84.185662
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -109.934179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.934179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.934179 (E_RNA)
where:
Base-Base interactions energy: -43.518
where: short stacking energy: -34.946
Base-Backbone interact. energy: 0.270
local terms energy: -66.686204
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: 2.678
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: 479
Temperature: 0.900000
Total energy: -365.787768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.787768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.787768 (E_RNA)
where:
Base-Base interactions energy: -244.510
where: short stacking energy: -104.967
Base-Backbone interact. energy: -0.113
local terms energy: -121.163835
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -34.228
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: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -311.847276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.847276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.847276 (E_RNA)
where:
Base-Base interactions energy: -194.502
where: short stacking energy: -95.671
Base-Backbone interact. energy: -0.066
local terms energy: -117.279638
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -25.472
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: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -305.972626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.972626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.972626 (E_RNA)
where:
Base-Base interactions energy: -196.540
where: short stacking energy: -91.540
Base-Backbone interact. energy: -0.558
local terms energy: -108.874855
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -303.055879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.055879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.055879 (E_RNA)
where:
Base-Base interactions energy: -190.938
where: short stacking energy: -88.091
Base-Backbone interact. energy: -0.039
local terms energy: -112.078723
where:
bonds (distance) C4'-P energy: -24.444
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -27.203
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: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -255.402295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.402295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.402295 (E_RNA)
where:
Base-Base interactions energy: -144.683
where: short stacking energy: -70.847
Base-Backbone interact. energy: -0.010
local terms energy: -110.709158
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -241.892778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.892778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.892778 (E_RNA)
where:
Base-Base interactions energy: -147.843
where: short stacking energy: -64.924
Base-Backbone interact. energy: -1.043
local terms energy: -93.006491
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -15.520
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: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -238.378497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.378497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.378497 (E_RNA)
where:
Base-Base interactions energy: -153.895
where: short stacking energy: -80.308
Base-Backbone interact. energy: -0.963
local terms energy: -83.520178
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -19.301
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: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -245.707123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.707123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.707123 (E_RNA)
where:
Base-Base interactions energy: -155.215
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.011
local terms energy: -90.480882
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -215.996336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.996336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.996336 (E_RNA)
where:
Base-Base interactions energy: -131.967
where: short stacking energy: -70.566
Base-Backbone interact. energy: -1.169
local terms energy: -82.859864
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -108.961591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.961591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.961591 (E_RNA)
where:
Base-Base interactions energy: -32.412
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.142
local terms energy: -76.407544
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -16.442
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: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -353.475778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.475778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.475778 (E_RNA)
where:
Base-Base interactions energy: -236.712
where: short stacking energy: -105.809
Base-Backbone interact. energy: -0.161
local terms energy: -116.601861
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -32.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -311.637720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.637720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.637720 (E_RNA)
where:
Base-Base interactions energy: -198.566
where: short stacking energy: -97.038
Base-Backbone interact. energy: -0.139
local terms energy: -112.933124
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -23.090
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -27.339
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: 480
Temperature: 1.000000
Total energy: -305.232985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.232985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.232985 (E_RNA)
where:
Base-Base interactions energy: -191.227
where: short stacking energy: -88.307
Base-Backbone interact. energy: -0.604
local terms energy: -113.401363
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -28.534
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: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -286.371347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.371347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.371347 (E_RNA)
where:
Base-Base interactions energy: -182.404
where: short stacking energy: -90.159
Base-Backbone interact. energy: 0.343
local terms energy: -104.310689
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -24.111
flat angles P-C4'-P energy: -17.826
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: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -244.578032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.578032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.578032 (E_RNA)
where:
Base-Base interactions energy: -141.237
where: short stacking energy: -55.699
Base-Backbone interact. energy: 0.417
local terms energy: -103.757422
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -20.309
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: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -222.687544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.687544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.687544 (E_RNA)
where:
Base-Base interactions energy: -138.216
where: short stacking energy: -58.534
Base-Backbone interact. energy: -0.117
local terms energy: -84.353823
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -238.993719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.993719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.993719 (E_RNA)
where:
Base-Base interactions energy: -158.309
where: short stacking energy: -74.418
Base-Backbone interact. energy: -0.358
local terms energy: -80.326870
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -14.917
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: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -234.840055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.840055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.840055 (E_RNA)
where:
Base-Base interactions energy: -159.293
where: short stacking energy: -75.055
Base-Backbone interact. energy: -0.061
local terms energy: -75.485783
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -233.831989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.831989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.831989 (E_RNA)
where:
Base-Base interactions energy: -144.135
where: short stacking energy: -72.635
Base-Backbone interact. energy: -0.306
local terms energy: -89.390184
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -15.988
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: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -127.440221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.440221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.440221 (E_RNA)
where:
Base-Base interactions energy: -56.064
where: short stacking energy: -40.062
Base-Backbone interact. energy: -0.050
local terms energy: -71.326836
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -349.334566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.334566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.334566 (E_RNA)
where:
Base-Base interactions energy: -234.620
where: short stacking energy: -101.863
Base-Backbone interact. energy: -0.004
local terms energy: -114.710352
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -24.241
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -32.653
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: 481
Temperature: 0.950000
Total energy: -320.191398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.191398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.191398 (E_RNA)
where:
Base-Base interactions energy: -200.566
where: short stacking energy: -103.580
Base-Backbone interact. energy: -0.022
local terms energy: -119.603979
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -29.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -305.705706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.705706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.705706 (E_RNA)
where:
Base-Base interactions energy: -198.117
where: short stacking energy: -97.977
Base-Backbone interact. energy: -0.289
local terms energy: -107.298958
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -306.273036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.273036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.273036 (E_RNA)
where:
Base-Base interactions energy: -199.297
where: short stacking energy: -95.773
Base-Backbone interact. energy: -0.041
local terms energy: -106.935004
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -26.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -261.193556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.193556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.193556 (E_RNA)
where:
Base-Base interactions energy: -172.607
where: short stacking energy: -85.017
Base-Backbone interact. energy: -0.108
local terms energy: -88.478022
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -16.686
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: 481
Temperature: 1.150000
Total energy: -238.820604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.820604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.820604 (E_RNA)
where:
Base-Base interactions energy: -154.964
where: short stacking energy: -61.869
Base-Backbone interact. energy: 1.083
local terms energy: -84.939279
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -24.570
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -219.705449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.705449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.705449 (E_RNA)
where:
Base-Base interactions energy: -135.372
where: short stacking energy: -70.482
Base-Backbone interact. energy: 0.477
local terms energy: -84.809999
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -232.343587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.343587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.343587 (E_RNA)
where:
Base-Base interactions energy: -147.562
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.418
local terms energy: -84.363655
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -230.654247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.654247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.654247 (E_RNA)
where:
Base-Base interactions energy: -136.187
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.019
local terms energy: -94.448136
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -20.176
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: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -106.881274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.881274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.881274 (E_RNA)
where:
Base-Base interactions energy: -34.194
where: short stacking energy: -29.969
Base-Backbone interact. energy: -0.206
local terms energy: -72.481340
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: 0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -349.478618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.478618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.478618 (E_RNA)
where:
Base-Base interactions energy: -236.097
where: short stacking energy: -101.290
Base-Backbone interact. energy: -0.256
local terms energy: -113.125552
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -30.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -312.432644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.432644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.432644 (E_RNA)
where:
Base-Base interactions energy: -198.767
where: short stacking energy: -91.711
Base-Backbone interact. energy: -0.219
local terms energy: -113.446803
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -29.704
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: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -316.985130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.985130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.985130 (E_RNA)
where:
Base-Base interactions energy: -200.511
where: short stacking energy: -93.083
Base-Backbone interact. energy: -0.408
local terms energy: -116.065817
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -26.717
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -27.354
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: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -301.415507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.415507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.415507 (E_RNA)
where:
Base-Base interactions energy: -192.242
where: short stacking energy: -94.712
Base-Backbone interact. energy: -0.005
local terms energy: -109.168583
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -30.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -237.014118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.014118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.014118 (E_RNA)
where:
Base-Base interactions energy: -145.842
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.491
local terms energy: -90.681526
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -239.848444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.848444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.848444 (E_RNA)
where:
Base-Base interactions energy: -149.311
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.140
local terms energy: -90.397318
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -11.108
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: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -255.341640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.341640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.341640 (E_RNA)
where:
Base-Base interactions energy: -168.067
where: short stacking energy: -79.073
Base-Backbone interact. energy: -0.896
local terms energy: -86.378127
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -21.043
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: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -200.288580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.288580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.288580 (E_RNA)
where:
Base-Base interactions energy: -112.254
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.595
local terms energy: -87.440061
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -216.133022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.133022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.133022 (E_RNA)
where:
Base-Base interactions energy: -126.125
where: short stacking energy: -56.437
Base-Backbone interact. energy: -0.274
local terms energy: -89.733656
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -10.850
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: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -105.397218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.397218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.397218 (E_RNA)
where:
Base-Base interactions energy: -35.402
where: short stacking energy: -31.760
Base-Backbone interact. energy: -0.187
local terms energy: -69.808369
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -4.540
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: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -356.529383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.529383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.529383 (E_RNA)
where:
Base-Base interactions energy: -228.620
where: short stacking energy: -108.171
Base-Backbone interact. energy: -0.126
local terms energy: -127.782648
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -32.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -326.061175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.061175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.061175 (E_RNA)
where:
Base-Base interactions energy: -210.475
where: short stacking energy: -108.211
Base-Backbone interact. energy: -0.099
local terms energy: -115.486778
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -32.180
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: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -303.580316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.580316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.580316 (E_RNA)
where:
Base-Base interactions energy: -193.789
where: short stacking energy: -92.386
Base-Backbone interact. energy: -0.152
local terms energy: -109.639143
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -255.225684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.225684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.225684 (E_RNA)
where:
Base-Base interactions energy: -153.168
where: short stacking energy: -74.450
Base-Backbone interact. energy: 1.161
local terms energy: -103.219343
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -24.131
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -284.196898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.196898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.196898 (E_RNA)
where:
Base-Base interactions energy: -189.634
where: short stacking energy: -76.393
Base-Backbone interact. energy: -0.170
local terms energy: -94.392318
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -25.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -230.898397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.898397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.898397 (E_RNA)
where:
Base-Base interactions energy: -133.816
where: short stacking energy: -73.273
Base-Backbone interact. energy: -0.743
local terms energy: -96.339215
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -230.447961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.447961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.447961 (E_RNA)
where:
Base-Base interactions energy: -145.442
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.226
local terms energy: -84.779981
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -211.004285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.004285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.004285 (E_RNA)
where:
Base-Base interactions energy: -133.244
where: short stacking energy: -59.892
Base-Backbone interact. energy: -0.225
local terms energy: -77.535662
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -177.582202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.582202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.582202 (E_RNA)
where:
Base-Base interactions energy: -101.451
where: short stacking energy: -52.107
Base-Backbone interact. energy: 0.254
local terms energy: -76.385617
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -6.777
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: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -112.917648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.917648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.917648 (E_RNA)
where:
Base-Base interactions energy: -49.298
where: short stacking energy: -18.846
Base-Backbone interact. energy: -1.285
local terms energy: -62.334920
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -4.641
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: 484
Temperature: 0.900000
Total energy: -341.607966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.607966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.607966 (E_RNA)
where:
Base-Base interactions energy: -224.293
where: short stacking energy: -96.716
Base-Backbone interact. energy: -0.353
local terms energy: -116.961476
where:
bonds (distance) C4'-P energy: -24.601
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -327.282625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.282625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.282625 (E_RNA)
where:
Base-Base interactions energy: -216.955
where: short stacking energy: -93.937
Base-Backbone interact. energy: 0.548
local terms energy: -110.874880
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -24.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -260.203171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.203171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.203171 (E_RNA)
where:
Base-Base interactions energy: -161.066
where: short stacking energy: -71.775
Base-Backbone interact. energy: 0.185
local terms energy: -99.321973
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -12.705
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: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -298.456949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.456949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.456949 (E_RNA)
where:
Base-Base interactions energy: -194.114
where: short stacking energy: -85.386
Base-Backbone interact. energy: 0.570
local terms energy: -104.912834
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -23.369
flat angles P-C4'-P energy: -13.131
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: 484
Temperature: 1.100000
Total energy: -295.751804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.751804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.751804 (E_RNA)
where:
Base-Base interactions energy: -191.430
where: short stacking energy: -82.396
Base-Backbone interact. energy: -0.978
local terms energy: -103.343697
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -279.587343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.587343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.587343 (E_RNA)
where:
Base-Base interactions energy: -180.431
where: short stacking energy: -85.882
Base-Backbone interact. energy: -0.261
local terms energy: -98.894496
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -23.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -246.291149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.291149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.291149 (E_RNA)
where:
Base-Base interactions energy: -157.045
where: short stacking energy: -78.867
Base-Backbone interact. energy: -0.905
local terms energy: -88.340874
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -18.530
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: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -211.614898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.614898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.614898 (E_RNA)
where:
Base-Base interactions energy: -127.446
where: short stacking energy: -57.141
Base-Backbone interact. energy: -1.404
local terms energy: -82.764525
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -213.089741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.089741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.089741 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.084
local terms energy: -82.945378
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -9.118
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: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -106.072401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.072401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.072401 (E_RNA)
where:
Base-Base interactions energy: -43.751
where: short stacking energy: -27.830
Base-Backbone interact. energy: -0.727
local terms energy: -61.594515
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -10.449
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: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -348.823745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.823745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.823745 (E_RNA)
where:
Base-Base interactions energy: -235.875
where: short stacking energy: -94.837
Base-Backbone interact. energy: -0.214
local terms energy: -112.734401
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -27.058
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -23.423
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: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -312.696788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.696788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.696788 (E_RNA)
where:
Base-Base interactions energy: -191.121
where: short stacking energy: -91.840
Base-Backbone interact. energy: -0.358
local terms energy: -121.217712
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -21.089
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: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -282.718316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.718316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.718316 (E_RNA)
where:
Base-Base interactions energy: -182.066
where: short stacking energy: -92.097
Base-Backbone interact. energy: -0.599
local terms energy: -100.053122
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -24.052
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -27.158
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: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -301.649544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.649544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.649544 (E_RNA)
where:
Base-Base interactions energy: -191.931
where: short stacking energy: -89.377
Base-Backbone interact. energy: -0.019
local terms energy: -109.700043
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -27.645
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -29.133
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: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -280.010346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.010346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.010346 (E_RNA)
where:
Base-Base interactions energy: -171.603
where: short stacking energy: -84.203
Base-Backbone interact. energy: -0.264
local terms energy: -108.143957
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -242.114471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.114471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.114471 (E_RNA)
where:
Base-Base interactions energy: -144.130
where: short stacking energy: -75.314
Base-Backbone interact. energy: -0.393
local terms energy: -97.592009
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -15.539
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: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -245.946191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.946191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.946191 (E_RNA)
where:
Base-Base interactions energy: -153.939
where: short stacking energy: -71.936
Base-Backbone interact. energy: 2.365
local terms energy: -94.372479
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -17.837
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: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -212.020485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.020485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.020485 (E_RNA)
where:
Base-Base interactions energy: -119.400
where: short stacking energy: -44.573
Base-Backbone interact. energy: -0.151
local terms energy: -92.469639
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -13.743
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: 485
Temperature: 1.300000
Total energy: -212.040250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.040250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.040250 (E_RNA)
where:
Base-Base interactions energy: -132.155
where: short stacking energy: -50.232
Base-Backbone interact. energy: -0.522
local terms energy: -79.362503
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -116.985480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.985480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.985480 (E_RNA)
where:
Base-Base interactions energy: -51.145
where: short stacking energy: -33.740
Base-Backbone interact. energy: -1.113
local terms energy: -64.727626
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: 0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -336.426120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.426120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.426120 (E_RNA)
where:
Base-Base interactions energy: -225.569
where: short stacking energy: -95.458
Base-Backbone interact. energy: -0.126
local terms energy: -110.731104
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -19.615
tors. eta vs tors. theta energy: -26.583
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: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -331.109836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.109836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.109836 (E_RNA)
where:
Base-Base interactions energy: -212.416
where: short stacking energy: -88.452
Base-Backbone interact. energy: -0.692
local terms energy: -118.001166
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -25.275
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -24.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -298.336329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.336329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.336329 (E_RNA)
where:
Base-Base interactions energy: -184.898
where: short stacking energy: -102.357
Base-Backbone interact. energy: -0.016
local terms energy: -113.422200
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -28.989
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: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -299.713751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.713751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.713751 (E_RNA)
where:
Base-Base interactions energy: -189.326
where: short stacking energy: -100.050
Base-Backbone interact. energy: -0.003
local terms energy: -110.384311
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -29.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -268.615522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.615522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.615522 (E_RNA)
where:
Base-Base interactions energy: -166.797
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.018
local terms energy: -101.800157
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -271.948231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.948231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.948231 (E_RNA)
where:
Base-Base interactions energy: -166.669
where: short stacking energy: -80.110
Base-Backbone interact. energy: 0.888
local terms energy: -106.167058
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -228.308470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.308470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.308470 (E_RNA)
where:
Base-Base interactions energy: -140.736
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.772
local terms energy: -86.799856
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -210.986527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.986527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.986527 (E_RNA)
where:
Base-Base interactions energy: -126.545
where: short stacking energy: -56.738
Base-Backbone interact. energy: -0.264
local terms energy: -84.176887
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -17.608
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: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -211.327804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.327804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.327804 (E_RNA)
where:
Base-Base interactions energy: -133.409
where: short stacking energy: -67.397
Base-Backbone interact. energy: -0.458
local terms energy: -77.460111
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -12.676
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: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -100.215821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.215821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.215821 (E_RNA)
where:
Base-Base interactions energy: -34.489
where: short stacking energy: -22.650
Base-Backbone interact. energy: -0.388
local terms energy: -65.338260
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -11.713
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: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -330.335145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.335145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.335145 (E_RNA)
where:
Base-Base interactions energy: -215.415
where: short stacking energy: -89.375
Base-Backbone interact. energy: -0.662
local terms energy: -114.258305
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -27.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -335.459408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.459408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.459408 (E_RNA)
where:
Base-Base interactions energy: -231.684
where: short stacking energy: -98.319
Base-Backbone interact. energy: -0.098
local terms energy: -103.676881
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -28.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -297.672061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.672061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.672061 (E_RNA)
where:
Base-Base interactions energy: -183.352
where: short stacking energy: -87.867
Base-Backbone interact. energy: -0.534
local terms energy: -113.785539
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -26.741
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: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -297.168333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.168333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.168333 (E_RNA)
where:
Base-Base interactions energy: -180.809
where: short stacking energy: -90.212
Base-Backbone interact. energy: -0.003
local terms energy: -116.356543
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -17.157
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -269.497328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.497328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.497328 (E_RNA)
where:
Base-Base interactions energy: -164.062
where: short stacking energy: -81.065
Base-Backbone interact. energy: -0.225
local terms energy: -105.209696
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -237.903333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.903333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.903333 (E_RNA)
where:
Base-Base interactions energy: -139.427
where: short stacking energy: -67.128
Base-Backbone interact. energy: -0.529
local terms energy: -97.947729
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -13.176
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: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -219.722454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.722454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.722454 (E_RNA)
where:
Base-Base interactions energy: -130.979
where: short stacking energy: -65.764
Base-Backbone interact. energy: -0.466
local terms energy: -88.277063
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -11.297
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: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -220.500298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.500298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.500298 (E_RNA)
where:
Base-Base interactions energy: -134.429
where: short stacking energy: -63.244
Base-Backbone interact. energy: 2.589
local terms energy: -88.660386
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -11.576
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: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -229.093977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.093977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.093977 (E_RNA)
where:
Base-Base interactions energy: -147.466
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.053
local terms energy: -81.574880
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -111.481212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.481212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.481212 (E_RNA)
where:
Base-Base interactions energy: -50.709
where: short stacking energy: -32.841
Base-Backbone interact. energy: 1.309
local terms energy: -62.081265
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: 5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -325.188033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.188033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.188033 (E_RNA)
where:
Base-Base interactions energy: -210.114
where: short stacking energy: -103.332
Base-Backbone interact. energy: -0.067
local terms energy: -115.007042
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -25.861
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -29.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -337.457382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.457382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.457382 (E_RNA)
where:
Base-Base interactions energy: -231.897
where: short stacking energy: -101.389
Base-Backbone interact. energy: -0.009
local terms energy: -105.551262
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -23.493
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -304.093653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.093653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.093653 (E_RNA)
where:
Base-Base interactions energy: -193.046
where: short stacking energy: -104.579
Base-Backbone interact. energy: -0.564
local terms energy: -110.483691
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -29.667
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: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -315.217044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.217044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.217044 (E_RNA)
where:
Base-Base interactions energy: -199.074
where: short stacking energy: -104.312
Base-Backbone interact. energy: -0.090
local terms energy: -116.052758
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -27.899
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: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -250.532007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.532007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.532007 (E_RNA)
where:
Base-Base interactions energy: -143.623
where: short stacking energy: -73.268
Base-Backbone interact. energy: -0.026
local terms energy: -106.882435
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -28.596
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -17.708
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: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -244.289949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.289949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.289949 (E_RNA)
where:
Base-Base interactions energy: -145.583
where: short stacking energy: -73.485
Base-Backbone interact. energy: -0.771
local terms energy: -97.935695
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -234.968238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.968238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.968238 (E_RNA)
where:
Base-Base interactions energy: -144.555
where: short stacking energy: -73.148
Base-Backbone interact. energy: 0.919
local terms energy: -91.332163
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -214.278246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.278246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.278246 (E_RNA)
where:
Base-Base interactions energy: -130.197
where: short stacking energy: -59.148
Base-Backbone interact. energy: 0.458
local terms energy: -84.539755
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -215.519451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.519451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.519451 (E_RNA)
where:
Base-Base interactions energy: -128.462
where: short stacking energy: -43.545
Base-Backbone interact. energy: -0.340
local terms energy: -86.717307
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -14.892
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: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -98.323675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.323675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.323675 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -27.928
Base-Backbone interact. energy: -0.492
local terms energy: -67.548087
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: 0.386
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: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -345.989208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.989208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.989208 (E_RNA)
where:
Base-Base interactions energy: -218.432
where: short stacking energy: -107.533
Base-Backbone interact. energy: 0.922
local terms energy: -128.479335
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -26.255
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -33.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -333.179924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.179924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.179924 (E_RNA)
where:
Base-Base interactions energy: -225.471
where: short stacking energy: -103.670
Base-Backbone interact. energy: -0.149
local terms energy: -107.560319
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -31.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -300.926405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.926405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.926405 (E_RNA)
where:
Base-Base interactions energy: -190.244
where: short stacking energy: -94.022
Base-Backbone interact. energy: 1.120
local terms energy: -111.801865
where:
bonds (distance) C4'-P energy: -22.734
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -320.044819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.044819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.044819 (E_RNA)
where:
Base-Base interactions energy: -211.330
where: short stacking energy: -99.273
Base-Backbone interact. energy: 0.699
local terms energy: -109.413658
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -28.003
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: 489
Temperature: 1.100000
Total energy: -248.936527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.936527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.936527 (E_RNA)
where:
Base-Base interactions energy: -151.680
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.700
local terms energy: -96.557140
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -19.166
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: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -253.734859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.734859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.734859 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -75.408
Base-Backbone interact. energy: -0.031
local terms energy: -109.077235
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -23.497
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -238.800302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.800302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.800302 (E_RNA)
where:
Base-Base interactions energy: -143.506
where: short stacking energy: -69.261
Base-Backbone interact. energy: 1.208
local terms energy: -96.502194
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -222.334275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.334275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.334275 (E_RNA)
where:
Base-Base interactions energy: -125.125
where: short stacking energy: -59.645
Base-Backbone interact. energy: -1.290
local terms energy: -95.918841
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -203.974692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.974692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.974692 (E_RNA)
where:
Base-Base interactions energy: -134.237
where: short stacking energy: -48.577
Base-Backbone interact. energy: -0.983
local terms energy: -68.755154
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: 1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -113.419598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.419598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.419598 (E_RNA)
where:
Base-Base interactions energy: -41.570
where: short stacking energy: -39.773
Base-Backbone interact. energy: -0.482
local terms energy: -71.367130
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -3.916
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: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -331.041981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.041981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.041981 (E_RNA)
where:
Base-Base interactions energy: -215.995
where: short stacking energy: -103.461
Base-Backbone interact. energy: -0.131
local terms energy: -114.916258
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -25.376
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -324.988739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.988739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.988739 (E_RNA)
where:
Base-Base interactions energy: -216.075
where: short stacking energy: -87.572
Base-Backbone interact. energy: -0.156
local terms energy: -108.758342
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -316.292773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.292773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.292773 (E_RNA)
where:
Base-Base interactions energy: -199.424
where: short stacking energy: -90.888
Base-Backbone interact. energy: -0.164
local terms energy: -116.705028
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -306.487583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.487583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.487583 (E_RNA)
where:
Base-Base interactions energy: -201.281
where: short stacking energy: -91.457
Base-Backbone interact. energy: -0.089
local terms energy: -105.117578
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -28.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -271.437755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.437755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.437755 (E_RNA)
where:
Base-Base interactions energy: -167.234
where: short stacking energy: -92.881
Base-Backbone interact. energy: 0.772
local terms energy: -104.974928
where:
bonds (distance) C4'-P energy: -23.418
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -234.844821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.844821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.844821 (E_RNA)
where:
Base-Base interactions energy: -154.530
where: short stacking energy: -83.864
Base-Backbone interact. energy: -0.133
local terms energy: -80.181927
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -10.324
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: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -261.714089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.714089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.714089 (E_RNA)
where:
Base-Base interactions energy: -162.652
where: short stacking energy: -83.424
Base-Backbone interact. energy: -0.311
local terms energy: -98.750990
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -213.779801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.779801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.779801 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -57.792
Base-Backbone interact. energy: -1.669
local terms energy: -85.405527
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -207.012162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.012162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.012162 (E_RNA)
where:
Base-Base interactions energy: -127.284
where: short stacking energy: -56.885
Base-Backbone interact. energy: 4.298
local terms energy: -84.026624
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -9.067
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: 490
Temperature: 1.350000
Total energy: -103.849702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.849702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.849702 (E_RNA)
where:
Base-Base interactions energy: -34.887
where: short stacking energy: -29.300
Base-Backbone interact. energy: -1.017
local terms energy: -67.946163
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -0.862
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: 491
Temperature: 0.900000
Total energy: -335.470165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.470165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.470165 (E_RNA)
where:
Base-Base interactions energy: -212.293
where: short stacking energy: -92.562
Base-Backbone interact. energy: 0.545
local terms energy: -123.722790
where:
bonds (distance) C4'-P energy: -26.727
bonds (distance) P-C4' energy: -25.344
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -30.696
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: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -329.869284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.869284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.869284 (E_RNA)
where:
Base-Base interactions energy: -218.560
where: short stacking energy: -107.571
Base-Backbone interact. energy: -0.080
local terms energy: -111.229298
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -24.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -322.825764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.825764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.825764 (E_RNA)
where:
Base-Base interactions energy: -210.464
where: short stacking energy: -105.535
Base-Backbone interact. energy: 0.691
local terms energy: -113.052505
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -29.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -290.525839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.525839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.525839 (E_RNA)
where:
Base-Base interactions energy: -181.576
where: short stacking energy: -84.502
Base-Backbone interact. energy: -0.151
local terms energy: -108.798912
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -27.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -252.346048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.346048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.346048 (E_RNA)
where:
Base-Base interactions energy: -149.926
where: short stacking energy: -91.791
Base-Backbone interact. energy: -0.025
local terms energy: -102.395070
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -28.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -285.869211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.869211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.869211 (E_RNA)
where:
Base-Base interactions energy: -185.025
where: short stacking energy: -91.979
Base-Backbone interact. energy: -0.188
local terms energy: -100.655585
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -226.619704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.619704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.619704 (E_RNA)
where:
Base-Base interactions energy: -128.677
where: short stacking energy: -60.182
Base-Backbone interact. energy: -1.459
local terms energy: -96.484017
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -8.197
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: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -234.177006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.177006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.177006 (E_RNA)
where:
Base-Base interactions energy: -140.001
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.211
local terms energy: -93.965264
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -16.182
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: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -184.419805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.419805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.419805 (E_RNA)
where:
Base-Base interactions energy: -106.174
where: short stacking energy: -47.818
Base-Backbone interact. energy: -0.089
local terms energy: -78.157374
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -9.628
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: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -102.677128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.677128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.677128 (E_RNA)
where:
Base-Base interactions energy: -30.485
where: short stacking energy: -28.154
Base-Backbone interact. energy: -0.254
local terms energy: -71.938162
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -2.912
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: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -333.783801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.783801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.783801 (E_RNA)
where:
Base-Base interactions energy: -214.144
where: short stacking energy: -100.877
Base-Backbone interact. energy: -1.176
local terms energy: -118.463325
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -32.885
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: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -331.761687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.761687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.761687 (E_RNA)
where:
Base-Base interactions energy: -222.408
where: short stacking energy: -97.671
Base-Backbone interact. energy: -0.069
local terms energy: -109.285508
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -31.390
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: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -308.072403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.072403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.072403 (E_RNA)
where:
Base-Base interactions energy: -193.824
where: short stacking energy: -93.710
Base-Backbone interact. energy: -0.486
local terms energy: -113.762123
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -30.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -298.845829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.845829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.845829 (E_RNA)
where:
Base-Base interactions energy: -188.123
where: short stacking energy: -87.583
Base-Backbone interact. energy: -0.158
local terms energy: -110.564971
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -26.048
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -28.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -295.422210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.422210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.422210 (E_RNA)
where:
Base-Base interactions energy: -179.192
where: short stacking energy: -91.096
Base-Backbone interact. energy: 0.623
local terms energy: -116.853161
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -26.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -237.012531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.012531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.012531 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -81.987
Base-Backbone interact. energy: -0.542
local terms energy: -83.022472
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -12.946
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: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -243.879616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.879616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.879616 (E_RNA)
where:
Base-Base interactions energy: -156.060
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.161
local terms energy: -87.659121
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -13.783
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: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -217.483502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.483502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.483502 (E_RNA)
where:
Base-Base interactions energy: -130.403
where: short stacking energy: -68.846
Base-Backbone interact. energy: -0.623
local terms energy: -86.457914
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -16.611
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: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -212.749140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.749140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.749140 (E_RNA)
where:
Base-Base interactions energy: -145.423
where: short stacking energy: -68.752
Base-Backbone interact. energy: 1.238
local terms energy: -68.563768
where:
bonds (distance) C4'-P energy: -7.001
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -119.655387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.655387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.655387 (E_RNA)
where:
Base-Base interactions energy: -45.051
where: short stacking energy: -39.397
Base-Backbone interact. energy: -0.798
local terms energy: -73.806074
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -342.711613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.711613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.711613 (E_RNA)
where:
Base-Base interactions energy: -227.307
where: short stacking energy: -98.822
Base-Backbone interact. energy: -0.326
local terms energy: -115.078513
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -26.571
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -26.958
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: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -345.827508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.827508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.827508 (E_RNA)
where:
Base-Base interactions energy: -234.457
where: short stacking energy: -109.555
Base-Backbone interact. energy: 1.269
local terms energy: -112.639735
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -30.989
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: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -308.901610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.901610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.901610 (E_RNA)
where:
Base-Base interactions energy: -200.103
where: short stacking energy: -105.433
Base-Backbone interact. energy: -0.100
local terms energy: -108.698774
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -25.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -299.080343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.080343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.080343 (E_RNA)
where:
Base-Base interactions energy: -191.845
where: short stacking energy: -82.554
Base-Backbone interact. energy: -0.065
local terms energy: -107.170635
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -18.464
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: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -297.580028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.580028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.580028 (E_RNA)
where:
Base-Base interactions energy: -185.957
where: short stacking energy: -86.823
Base-Backbone interact. energy: -0.460
local terms energy: -111.162506
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -254.140135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.140135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.140135 (E_RNA)
where:
Base-Base interactions energy: -150.883
where: short stacking energy: -80.016
Base-Backbone interact. energy: -0.295
local terms energy: -102.962063
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -23.577
flat angles P-C4'-P energy: -13.277
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: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -224.117638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.117638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.117638 (E_RNA)
where:
Base-Base interactions energy: -137.489
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.351
local terms energy: -86.277446
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -214.915204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.915204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.915204 (E_RNA)
where:
Base-Base interactions energy: -133.032
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.052
local terms energy: -81.830535
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -217.130547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.130547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.130547 (E_RNA)
where:
Base-Base interactions energy: -140.478
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.244
local terms energy: -76.408775
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -162.980954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.980954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.980954 (E_RNA)
where:
Base-Base interactions energy: -93.274
where: short stacking energy: -50.972
Base-Backbone interact. energy: -0.095
local terms energy: -69.611684
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -7.848
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: 494
Temperature: 0.900000
Total energy: -362.767527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.767527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.767527 (E_RNA)
where:
Base-Base interactions energy: -236.808
where: short stacking energy: -110.748
Base-Backbone interact. energy: -0.418
local terms energy: -125.541598
where:
bonds (distance) C4'-P energy: -23.642
bonds (distance) P-C4' energy: -26.062
flat angles C4'-P-C4' energy: -26.663
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -31.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -333.028869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.028869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.028869 (E_RNA)
where:
Base-Base interactions energy: -219.157
where: short stacking energy: -95.899
Base-Backbone interact. energy: -0.014
local terms energy: -113.858637
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -26.660
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -26.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -312.015295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.015295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.015295 (E_RNA)
where:
Base-Base interactions energy: -192.580
where: short stacking energy: -99.662
Base-Backbone interact. energy: -0.111
local terms energy: -119.324360
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -20.959
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -31.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -300.731967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.731967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.731967 (E_RNA)
where:
Base-Base interactions energy: -190.896
where: short stacking energy: -91.503
Base-Backbone interact. energy: -0.526
local terms energy: -109.310832
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -25.333
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -26.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -291.769895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.769895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.769895 (E_RNA)
where:
Base-Base interactions energy: -195.101
where: short stacking energy: -80.921
Base-Backbone interact. energy: -0.190
local terms energy: -96.478663
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -14.237
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: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -279.695700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.695700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.695700 (E_RNA)
where:
Base-Base interactions energy: -184.682
where: short stacking energy: -87.102
Base-Backbone interact. energy: -0.089
local terms energy: -94.924213
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -228.772973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.772973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.772973 (E_RNA)
where:
Base-Base interactions energy: -129.957
where: short stacking energy: -68.492
Base-Backbone interact. energy: 0.204
local terms energy: -99.020364
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -215.691112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.691112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.691112 (E_RNA)
where:
Base-Base interactions energy: -123.798
where: short stacking energy: -57.008
Base-Backbone interact. energy: 0.205
local terms energy: -92.098186
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -11.396
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: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -169.829650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.829650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.829650 (E_RNA)
where:
Base-Base interactions energy: -95.342
where: short stacking energy: -47.560
Base-Backbone interact. energy: -0.719
local terms energy: -73.769484
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -206.617078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.617078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.617078 (E_RNA)
where:
Base-Base interactions energy: -126.913
where: short stacking energy: -63.779
Base-Backbone interact. energy: 1.487
local terms energy: -81.190782
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -13.701
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: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -353.605190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.605190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.605190 (E_RNA)
where:
Base-Base interactions energy: -234.078
where: short stacking energy: -110.874
Base-Backbone interact. energy: -0.443
local terms energy: -119.084178
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -32.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -350.965737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.965737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.965737 (E_RNA)
where:
Base-Base interactions energy: -239.083
where: short stacking energy: -95.739
Base-Backbone interact. energy: -0.258
local terms energy: -111.624589
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -26.554
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: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -315.939300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.939300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.939300 (E_RNA)
where:
Base-Base interactions energy: -204.351
where: short stacking energy: -98.161
Base-Backbone interact. energy: -0.126
local terms energy: -111.462813
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -33.184
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: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -296.692751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.692751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.692751 (E_RNA)
where:
Base-Base interactions energy: -199.665
where: short stacking energy: -97.936
Base-Backbone interact. energy: 1.018
local terms energy: -98.044999
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -288.464191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.464191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.464191 (E_RNA)
where:
Base-Base interactions energy: -175.499
where: short stacking energy: -91.358
Base-Backbone interact. energy: -0.085
local terms energy: -112.880445
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -289.400888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.400888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.400888 (E_RNA)
where:
Base-Base interactions energy: -183.045
where: short stacking energy: -84.612
Base-Backbone interact. energy: -0.783
local terms energy: -105.572608
where:
bonds (distance) C4'-P energy: -22.729
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -25.621
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: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -237.012367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.012367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.012367 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.086
local terms energy: -88.616390
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -216.153460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.153460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.153460 (E_RNA)
where:
Base-Base interactions energy: -127.355
where: short stacking energy: -53.783
Base-Backbone interact. energy: -0.052
local terms energy: -88.746129
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -226.611186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.611186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.611186 (E_RNA)
where:
Base-Base interactions energy: -134.585
where: short stacking energy: -65.490
Base-Backbone interact. energy: -0.544
local terms energy: -91.481834
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -214.585911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.585911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.585911 (E_RNA)
where:
Base-Base interactions energy: -128.176
where: short stacking energy: -54.435
Base-Backbone interact. energy: -0.588
local terms energy: -85.821582
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -352.573089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.573089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.573089 (E_RNA)
where:
Base-Base interactions energy: -239.101
where: short stacking energy: -109.031
Base-Backbone interact. energy: 0.028
local terms energy: -113.499519
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -25.938
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -333.786353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.786353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.786353 (E_RNA)
where:
Base-Base interactions energy: -234.935
where: short stacking energy: -104.623
Base-Backbone interact. energy: -0.163
local terms energy: -98.689016
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -24.219
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: 496
Temperature: 1.000000
Total energy: -313.718898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.718898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.718898 (E_RNA)
where:
Base-Base interactions energy: -198.021
where: short stacking energy: -102.354
Base-Backbone interact. energy: -0.218
local terms energy: -115.479914
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -31.049
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: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -302.903505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.903505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.903505 (E_RNA)
where:
Base-Base interactions energy: -189.301
where: short stacking energy: -94.143
Base-Backbone interact. energy: -0.240
local terms energy: -113.362500
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -28.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -308.239462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.239462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.239462 (E_RNA)
where:
Base-Base interactions energy: -204.896
where: short stacking energy: -96.227
Base-Backbone interact. energy: -0.011
local terms energy: -103.332312
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -24.078
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -25.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -281.197832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.197832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.197832 (E_RNA)
where:
Base-Base interactions energy: -181.686
where: short stacking energy: -90.279
Base-Backbone interact. energy: -0.034
local terms energy: -99.478258
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -224.944548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.944548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944548 (E_RNA)
where:
Base-Base interactions energy: -125.285
where: short stacking energy: -61.124
Base-Backbone interact. energy: -0.020
local terms energy: -99.640062
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -237.440441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.440441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.440441 (E_RNA)
where:
Base-Base interactions energy: -149.048
where: short stacking energy: -61.938
Base-Backbone interact. energy: 1.985
local terms energy: -90.377419
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -24.010
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -209.630021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.630021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.630021 (E_RNA)
where:
Base-Base interactions energy: -140.612
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.033
local terms energy: -68.985589
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -205.139340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.139340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.139340 (E_RNA)
where:
Base-Base interactions energy: -129.695
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.192
local terms energy: -75.252781
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -342.312609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.312609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.312609 (E_RNA)
where:
Base-Base interactions energy: -234.807
where: short stacking energy: -104.925
Base-Backbone interact. energy: -0.270
local terms energy: -107.235566
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -29.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -309.106752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.106752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.106752 (E_RNA)
where:
Base-Base interactions energy: -197.951
where: short stacking energy: -96.701
Base-Backbone interact. energy: -0.333
local terms energy: -110.822192
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -308.432074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.432074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.432074 (E_RNA)
where:
Base-Base interactions energy: -192.067
where: short stacking energy: -89.943
Base-Backbone interact. energy: -0.928
local terms energy: -115.437115
where:
bonds (distance) C4'-P energy: -22.978
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -29.429
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: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -325.741132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.741132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.741132 (E_RNA)
where:
Base-Base interactions energy: -211.448
where: short stacking energy: -109.392
Base-Backbone interact. energy: -0.081
local terms energy: -114.211286
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -34.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -298.299073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.299073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.299073 (E_RNA)
where:
Base-Base interactions energy: -195.332
where: short stacking energy: -86.471
Base-Backbone interact. energy: 0.435
local terms energy: -103.402637
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -290.117173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.117173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.117173 (E_RNA)
where:
Base-Base interactions energy: -181.983
where: short stacking energy: -101.451
Base-Backbone interact. energy: -0.228
local terms energy: -107.905568
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -226.097224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.097224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.097224 (E_RNA)
where:
Base-Base interactions energy: -145.211
where: short stacking energy: -77.060
Base-Backbone interact. energy: 0.579
local terms energy: -81.464661
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -221.919203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.919203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.919203 (E_RNA)
where:
Base-Base interactions energy: -136.065
where: short stacking energy: -55.493
Base-Backbone interact. energy: -0.339
local terms energy: -85.515036
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -13.977
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: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -174.914471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.914471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.914471 (E_RNA)
where:
Base-Base interactions energy: -87.796
where: short stacking energy: -39.822
Base-Backbone interact. energy: 0.257
local terms energy: -87.375499
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -199.030645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.030645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.030645 (E_RNA)
where:
Base-Base interactions energy: -122.936
where: short stacking energy: -61.599
Base-Backbone interact. energy: -0.173
local terms energy: -75.921479
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -336.790603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.790603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.790603 (E_RNA)
where:
Base-Base interactions energy: -226.523
where: short stacking energy: -96.851
Base-Backbone interact. energy: 0.470
local terms energy: -110.737867
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -24.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -336.156903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.156903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.156903 (E_RNA)
where:
Base-Base interactions energy: -219.432
where: short stacking energy: -100.497
Base-Backbone interact. energy: -0.504
local terms energy: -116.220569
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -29.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -317.649867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.649867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.649867 (E_RNA)
where:
Base-Base interactions energy: -206.050
where: short stacking energy: -94.519
Base-Backbone interact. energy: -0.192
local terms energy: -111.407575
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -27.237
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: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -325.572700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.572700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.572700 (E_RNA)
where:
Base-Base interactions energy: -204.618
where: short stacking energy: -99.314
Base-Backbone interact. energy: -0.160
local terms energy: -120.794145
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -33.100
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: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -298.055270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.055270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.055270 (E_RNA)
where:
Base-Base interactions energy: -194.101
where: short stacking energy: -86.881
Base-Backbone interact. energy: 0.358
local terms energy: -104.312124
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -26.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -264.860574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.860574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.860574 (E_RNA)
where:
Base-Base interactions energy: -168.646
where: short stacking energy: -73.483
Base-Backbone interact. energy: -0.635
local terms energy: -95.579613
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -16.892
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: 7, replica: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -226.528320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.528320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.528320 (E_RNA)
where:
Base-Base interactions energy: -135.927
where: short stacking energy: -69.127
Base-Backbone interact. energy: -0.015
local terms energy: -90.586234
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -11.244
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: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -220.783331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.783331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.783331 (E_RNA)
where:
Base-Base interactions energy: -133.937
where: short stacking energy: -67.405
Base-Backbone interact. energy: 1.237
local terms energy: -88.082983
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -16.869
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: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -201.511636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.511636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.511636 (E_RNA)
where:
Base-Base interactions energy: -127.515
where: short stacking energy: -61.357
Base-Backbone interact. energy: 2.023
local terms energy: -76.019068
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -153.243163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.243163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.243163 (E_RNA)
where:
Base-Base interactions energy: -87.865
where: short stacking energy: -35.723
Base-Backbone interact. energy: 0.054
local terms energy: -65.432085
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: 2.310
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: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -357.566546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.566546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.566546 (E_RNA)
where:
Base-Base interactions energy: -246.131
where: short stacking energy: -108.280
Base-Backbone interact. energy: -0.818
local terms energy: -110.617478
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -24.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -332.469836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.469836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.469836 (E_RNA)
where:
Base-Base interactions energy: -213.508
where: short stacking energy: -106.152
Base-Backbone interact. energy: -0.200
local terms energy: -118.761272
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -33.450
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: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -313.700442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.700442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.700442 (E_RNA)
where:
Base-Base interactions energy: -204.587
where: short stacking energy: -98.261
Base-Backbone interact. energy: -0.184
local terms energy: -108.930004
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -24.366
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -27.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -315.909545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.909545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.909545 (E_RNA)
where:
Base-Base interactions energy: -202.471
where: short stacking energy: -90.651
Base-Backbone interact. energy: -0.240
local terms energy: -113.198741
where:
bonds (distance) C4'-P energy: -25.570
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -32.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -286.339089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.339089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.339089 (E_RNA)
where:
Base-Base interactions energy: -182.841
where: short stacking energy: -95.619
Base-Backbone interact. energy: -0.019
local terms energy: -103.478235
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -261.254862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.254862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.254862 (E_RNA)
where:
Base-Base interactions energy: -163.969
where: short stacking energy: -71.750
Base-Backbone interact. energy: -0.073
local terms energy: -97.213044
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -25.329
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -14.383
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: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -227.266172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.266172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.266172 (E_RNA)
where:
Base-Base interactions energy: -132.686
where: short stacking energy: -64.452
Base-Backbone interact. energy: -1.349
local terms energy: -93.230512
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -15.184
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: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -224.074592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.074592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.074592 (E_RNA)
where:
Base-Base interactions energy: -141.459
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.508
local terms energy: -82.107630
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -190.104757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.104757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.104757 (E_RNA)
where:
Base-Base interactions energy: -106.773
where: short stacking energy: -54.764
Base-Backbone interact. energy: -0.368
local terms energy: -82.964266
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -7.527
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: 499
Temperature: 1.350000
Total energy: -106.806395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.806395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.806395 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -34.703
Base-Backbone interact. energy: -0.146
local terms energy: -70.063593
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -0.096
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: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -362.701435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.701435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.701435 (E_RNA)
where:
Base-Base interactions energy: -245.192
where: short stacking energy: -104.062
Base-Backbone interact. energy: -0.197
local terms energy: -117.311929
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -328.211363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.211363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.211363 (E_RNA)
where:
Base-Base interactions energy: -205.319
where: short stacking energy: -96.614
Base-Backbone interact. energy: -0.013
local terms energy: -122.879470
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -28.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -310.030819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.030819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.030819 (E_RNA)
where:
Base-Base interactions energy: -202.657
where: short stacking energy: -94.302
Base-Backbone interact. energy: -0.375
local terms energy: -106.999105
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -23.438
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: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -305.320088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.320088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.320088 (E_RNA)
where:
Base-Base interactions energy: -199.021
where: short stacking energy: -100.595
Base-Backbone interact. energy: -0.092
local terms energy: -106.207533
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -29.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -293.250960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.250960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.250960 (E_RNA)
where:
Base-Base interactions energy: -186.430
where: short stacking energy: -91.088
Base-Backbone interact. energy: -0.640
local terms energy: -106.180915
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -24.004
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -255.582919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.582919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.582919 (E_RNA)
where:
Base-Base interactions energy: -163.243
where: short stacking energy: -67.110
Base-Backbone interact. energy: 0.329
local terms energy: -92.668457
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -11.419
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: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -256.543160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.543160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.543160 (E_RNA)
where:
Base-Base interactions energy: -156.021
where: short stacking energy: -80.939
Base-Backbone interact. energy: -0.302
local terms energy: -100.219873
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -27.878
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -224.079977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.079977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.079977 (E_RNA)
where:
Base-Base interactions energy: -127.708
where: short stacking energy: -58.179
Base-Backbone interact. energy: -0.829
local terms energy: -95.542903
where:
bonds (distance) C4'-P energy: -24.149
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -11.697
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: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -203.491136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.491136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.491136 (E_RNA)
where:
Base-Base interactions energy: -118.939
where: short stacking energy: -44.748
Base-Backbone interact. energy: -0.373
local terms energy: -84.179089
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -19.312
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -108.255044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.255044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.255044 (E_RNA)
where:
Base-Base interactions energy: -36.500
where: short stacking energy: -33.968
Base-Backbone interact. energy: -0.132
local terms energy: -71.623406
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -357.102644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.102644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.102644 (E_RNA)
where:
Base-Base interactions energy: -239.276
where: short stacking energy: -97.325
Base-Backbone interact. energy: 0.949
local terms energy: -118.775158
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -25.714
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -330.503863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.503863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.503863 (E_RNA)
where:
Base-Base interactions energy: -215.823
where: short stacking energy: -100.924
Base-Backbone interact. energy: -0.321
local terms energy: -114.359765
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -26.620
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -25.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -289.068221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.068221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.068221 (E_RNA)
where:
Base-Base interactions energy: -174.930
where: short stacking energy: -91.927
Base-Backbone interact. energy: -0.002
local terms energy: -114.136205
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -26.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -301.789508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.789508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.789508 (E_RNA)
where:
Base-Base interactions energy: -192.464
where: short stacking energy: -90.352
Base-Backbone interact. energy: -0.547
local terms energy: -108.778982
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -26.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -301.105420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.105420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.105420 (E_RNA)
where:
Base-Base interactions energy: -193.283
where: short stacking energy: -83.704
Base-Backbone interact. energy: 1.582
local terms energy: -109.404169
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -25.662
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -25.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -251.817185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.817185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.817185 (E_RNA)
where:
Base-Base interactions energy: -149.774
where: short stacking energy: -70.922
Base-Backbone interact. energy: -0.739
local terms energy: -101.304454
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -255.066910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.066910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.066910 (E_RNA)
where:
Base-Base interactions energy: -159.920
where: short stacking energy: -78.571
Base-Backbone interact. energy: -0.507
local terms energy: -94.639679
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -247.285944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.285944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.285944 (E_RNA)
where:
Base-Base interactions energy: -163.327
where: short stacking energy: -71.774
Base-Backbone interact. energy: -0.069
local terms energy: -83.890319
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -223.994788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.994788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.994788 (E_RNA)
where:
Base-Base interactions energy: -127.944
where: short stacking energy: -57.731
Base-Backbone interact. energy: -0.816
local terms energy: -95.235612
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -10.864
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: 10, replica: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -105.459349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.459349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.459349 (E_RNA)
where:
Base-Base interactions energy: -43.968
where: short stacking energy: -43.968
Base-Backbone interact. energy: -0.183
local terms energy: -61.307825
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -1.007
tors. eta vs tors. theta energy: -6.517
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)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 24666594
moves confirmed later: 28405210
all moves confirmed: 53071804
percent of confirmed moves: 6.633976
current total energy: -270.012562
recalc. total energy: -270.012562
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 27873112
moves confirmed later: 32827200
all moves confirmed: 60700312
percent of confirmed moves: 7.587539
current total energy: -287.037460
recalc. total energy: -287.037460
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 26362257
moves confirmed later: 30833864
all moves confirmed: 57196121
percent of confirmed moves: 7.149515
current total energy: -264.324121
recalc. total energy: -264.324121
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 30078962
moves confirmed later: 35705797
all moves confirmed: 65784759
percent of confirmed moves: 8.223095
current total energy: -245.485473
recalc. total energy: -245.485473
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 22709385
moves confirmed later: 25769139
all moves confirmed: 48478524
percent of confirmed moves: 6.059816
current total energy: -260.770675
recalc. total energy: -260.770675
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 22904026
moves confirmed later: 25984215
all moves confirmed: 48888241
percent of confirmed moves: 6.111030
current total energy: -206.088922
recalc. total energy: -206.088922
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 31920980
moves confirmed later: 38387121
all moves confirmed: 70308101
percent of confirmed moves: 8.788513
current total energy: -149.748091
recalc. total energy: -149.748091
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 33461710
moves confirmed later: 40300899
all moves confirmed: 73762609
percent of confirmed moves: 9.220326
current total energy: -154.368818
recalc. total energy: -154.368818
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 27122062
moves confirmed later: 31744846
all moves confirmed: 58866908
percent of confirmed moves: 7.358364
current total energy: -179.421549
recalc. total energy: -179.421549
replica 3 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 36424997
moves confirmed later: 44235228
all moves confirmed: 80660225
percent of confirmed moves: 10.082528
current total energy: -34.403604
recalc. total energy: -34.403604
out arg RESULTS//1/Can_free-7788f007_01
Time of doing 8000000 iterations: 4739.860 seconds