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/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D4-5c38ca14/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACAUGGAGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACAUGGAGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -148.380210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.380210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.380210 (E_RNA)
where:
Base-Base interactions energy: -80.081
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.011
local terms energy: -68.287741
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -131.450238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.450238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.450238 (E_RNA)
where:
Base-Base interactions energy: -62.448
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.002
local terms energy: -68.999749
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -13.290
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -116.980860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.980860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.980860 (E_RNA)
where:
Base-Base interactions energy: -57.249
where: short stacking energy: -47.005
Base-Backbone interact. energy: -0.122
local terms energy: -59.609775
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -11.799
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: 2
Temperature: 1.050000
Total energy: -111.670614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.670614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.670614 (E_RNA)
where:
Base-Base interactions energy: -51.159
where: short stacking energy: -36.412
Base-Backbone interact. energy: -0.113
local terms energy: -60.398781
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -7.177
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -137.124120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.124120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.124120 (E_RNA)
where:
Base-Base interactions energy: -77.377
where: short stacking energy: -39.920
Base-Backbone interact. energy: 1.517
local terms energy: -61.263453
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -106.765299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.765299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.765299 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -42.730
Base-Backbone interact. energy: -1.392
local terms energy: -60.204199
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -102.136446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.136446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.136446 (E_RNA)
where:
Base-Base interactions energy: -42.966
where: short stacking energy: -38.898
Base-Backbone interact. energy: -0.057
local terms energy: -59.113588
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.418609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.418609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.418609 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -36.014
Base-Backbone interact. energy: -0.032
local terms energy: -59.372173
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -9.194
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -92.030946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.030946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.030946 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -34.615
Base-Backbone interact. energy: -0.065
local terms energy: -57.109775
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -79.449983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.449983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.449983 (E_RNA)
where:
Base-Base interactions energy: -2.975
where: short stacking energy: -2.975
Base-Backbone interact. energy: -0.000
local terms energy: -76.475258
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -159.680518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.680518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.680518 (E_RNA)
where:
Base-Base interactions energy: -85.414
where: short stacking energy: -58.587
Base-Backbone interact. energy: -0.026
local terms energy: -74.240712
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -12.061
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -121.925972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.925972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.925972 (E_RNA)
where:
Base-Base interactions energy: -58.558
where: short stacking energy: -51.198
Base-Backbone interact. energy: -1.038
local terms energy: -62.330347
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -9.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -124.773011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.773011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.773011 (E_RNA)
where:
Base-Base interactions energy: -54.281
where: short stacking energy: -53.982
Base-Backbone interact. energy: -0.001
local terms energy: -70.490813
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -128.564567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.564567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.564567 (E_RNA)
where:
Base-Base interactions energy: -66.735
where: short stacking energy: -46.219
Base-Backbone interact. energy: -0.263
local terms energy: -61.566512
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -100.879976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.879976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.879976 (E_RNA)
where:
Base-Base interactions energy: -45.274
where: short stacking energy: -29.353
Base-Backbone interact. energy: -0.198
local terms energy: -55.407981
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -95.534184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.534184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.534184 (E_RNA)
where:
Base-Base interactions energy: -42.694
where: short stacking energy: -32.714
Base-Backbone interact. energy: -1.233
local terms energy: -51.606320
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -8.456
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -103.176900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.176900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.176900 (E_RNA)
where:
Base-Base interactions energy: -40.346
where: short stacking energy: -34.979
Base-Backbone interact. energy: -0.094
local terms energy: -62.737233
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.862
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -86.746737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746737 (E_RNA)
where:
Base-Base interactions energy: -34.107
where: short stacking energy: -34.707
Base-Backbone interact. energy: 0.317
local terms energy: -52.956787
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -7.175
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -75.837159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.837159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.837159 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -30.326
Base-Backbone interact. energy: -0.338
local terms energy: -41.580031
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -80.992514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.992514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.992514 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -33.977
Base-Backbone interact. energy: -0.481
local terms energy: -46.812495
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -8.217
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -154.913904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.913904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.913904 (E_RNA)
where:
Base-Base interactions energy: -83.491
where: short stacking energy: -54.018
Base-Backbone interact. energy: 0.407
local terms energy: -71.829965
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -13.647
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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -121.317872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.317872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.317872 (E_RNA)
where:
Base-Base interactions energy: -62.148
where: short stacking energy: -52.513
Base-Backbone interact. energy: -0.158
local terms energy: -59.011340
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.302
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: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -123.164732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.164732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.164732 (E_RNA)
where:
Base-Base interactions energy: -71.215
where: short stacking energy: -40.510
Base-Backbone interact. energy: 0.221
local terms energy: -52.171036
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -113.533344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.533344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.533344 (E_RNA)
where:
Base-Base interactions energy: -46.208
where: short stacking energy: -46.093
Base-Backbone interact. energy: -0.054
local terms energy: -67.271647
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -12.396
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: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -133.285040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.285040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.285040 (E_RNA)
where:
Base-Base interactions energy: -65.375
where: short stacking energy: -50.724
Base-Backbone interact. energy: -0.118
local terms energy: -67.792828
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -15.004
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: 4
Temperature: 1.150000
Total energy: -105.799100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.799100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.799100 (E_RNA)
where:
Base-Base interactions energy: -51.879
where: short stacking energy: -29.651
Base-Backbone interact. energy: -0.191
local terms energy: -53.728935
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -104.233411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.233411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.233411 (E_RNA)
where:
Base-Base interactions energy: -46.579
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.756
local terms energy: -56.898638
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -6.307
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -83.714801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.714801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.714801 (E_RNA)
where:
Base-Base interactions energy: -33.666
where: short stacking energy: -26.520
Base-Backbone interact. energy: -0.571
local terms energy: -49.477141
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -83.916429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.916429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.916429 (E_RNA)
where:
Base-Base interactions energy: -33.458
where: short stacking energy: -30.205
Base-Backbone interact. energy: -0.073
local terms energy: -50.385617
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -78.681105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.681105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.681105 (E_RNA)
where:
Base-Base interactions energy: -34.890
where: short stacking energy: -34.890
Base-Backbone interact. energy: -0.127
local terms energy: -43.663599
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -157.696726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.696726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.696726 (E_RNA)
where:
Base-Base interactions energy: -85.901
where: short stacking energy: -55.979
Base-Backbone interact. energy: -0.136
local terms energy: -71.660679
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -124.083434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.083434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.083434 (E_RNA)
where:
Base-Base interactions energy: -61.024
where: short stacking energy: -39.953
Base-Backbone interact. energy: -0.043
local terms energy: -63.016237
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -121.804318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.804318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.804318 (E_RNA)
where:
Base-Base interactions energy: -60.320
where: short stacking energy: -35.823
Base-Backbone interact. energy: -0.357
local terms energy: -61.127200
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -125.367034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.367034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.367034 (E_RNA)
where:
Base-Base interactions energy: -71.351
where: short stacking energy: -38.559
Base-Backbone interact. energy: -0.863
local terms energy: -53.152860
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -4.005
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: 5
Temperature: 1.100000
Total energy: -102.324681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.324681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.324681 (E_RNA)
where:
Base-Base interactions energy: -51.419
where: short stacking energy: -51.419
Base-Backbone interact. energy: -0.101
local terms energy: -50.804347
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -4.901
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -100.341223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.341223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.341223 (E_RNA)
where:
Base-Base interactions energy: -43.598
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.418
local terms energy: -56.324805
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -97.954909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.954909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.954909 (E_RNA)
where:
Base-Base interactions energy: -49.083
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.529
local terms energy: -48.343445
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -98.621707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.621707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.621707 (E_RNA)
where:
Base-Base interactions energy: -58.785
where: short stacking energy: -38.374
Base-Backbone interact. energy: -1.087
local terms energy: -38.749597
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -1.485
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -82.585374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585374 (E_RNA)
where:
Base-Base interactions energy: -35.417
where: short stacking energy: -26.977
Base-Backbone interact. energy: 0.098
local terms energy: -47.266604
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -78.476179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.476179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.476179 (E_RNA)
where:
Base-Base interactions energy: -30.779
where: short stacking energy: -19.905
Base-Backbone interact. energy: 2.037
local terms energy: -49.733751
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: 4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -167.211179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.211179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.211179 (E_RNA)
where:
Base-Base interactions energy: -99.729
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.376
local terms energy: -67.106164
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -137.977371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.977371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.977371 (E_RNA)
where:
Base-Base interactions energy: -68.227
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.630
local terms energy: -69.120560
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -13.853
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: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -144.448462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.448462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.448462 (E_RNA)
where:
Base-Base interactions energy: -83.681
where: short stacking energy: -52.463
Base-Backbone interact. energy: -0.281
local terms energy: -60.486492
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -128.446867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.446867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.446867 (E_RNA)
where:
Base-Base interactions energy: -67.652
where: short stacking energy: -41.375
Base-Backbone interact. energy: -1.182
local terms energy: -59.613243
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -96.260591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.260591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.260591 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -26.525
Base-Backbone interact. energy: -0.109
local terms energy: -60.704524
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -134.767267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.767267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.767267 (E_RNA)
where:
Base-Base interactions energy: -75.878
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.411
local terms energy: -58.478165
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -84.017253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.017253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.017253 (E_RNA)
where:
Base-Base interactions energy: -32.881
where: short stacking energy: -18.777
Base-Backbone interact. energy: 0.798
local terms energy: -51.934659
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: 2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -90.033288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.033288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.033288 (E_RNA)
where:
Base-Base interactions energy: -42.145
where: short stacking energy: -33.230
Base-Backbone interact. energy: -0.186
local terms energy: -47.702511
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -8.582
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -82.040777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.040777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.040777 (E_RNA)
where:
Base-Base interactions energy: -34.730
where: short stacking energy: -26.692
Base-Backbone interact. energy: 1.228
local terms energy: -48.538187
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: 2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -100.728149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.728149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.728149 (E_RNA)
where:
Base-Base interactions energy: -57.354
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.233
local terms energy: -43.141798
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -1.854
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -163.765348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.765348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.765348 (E_RNA)
where:
Base-Base interactions energy: -94.260
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.196
local terms energy: -69.309088
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -164.711390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.711390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.711390 (E_RNA)
where:
Base-Base interactions energy: -107.178
where: short stacking energy: -55.367
Base-Backbone interact. energy: -0.476
local terms energy: -57.057837
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -125.045285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.045285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.045285 (E_RNA)
where:
Base-Base interactions energy: -54.979
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.229
local terms energy: -69.837550
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -12.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -140.294413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.294413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.294413 (E_RNA)
where:
Base-Base interactions energy: -89.079
where: short stacking energy: -43.447
Base-Backbone interact. energy: -0.468
local terms energy: -50.747000
where:
bonds (distance) C4'-P energy: -7.454
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -106.710409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.710409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.710409 (E_RNA)
where:
Base-Base interactions energy: -46.905
where: short stacking energy: -36.036
Base-Backbone interact. energy: 0.318
local terms energy: -60.123668
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -5.476
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: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -155.593960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.593960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.593960 (E_RNA)
where:
Base-Base interactions energy: -92.953
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.742
local terms energy: -61.898966
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -94.139544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.139544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.139544 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.217
local terms energy: -61.259487
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -7.318
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: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -87.988528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.988528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.988528 (E_RNA)
where:
Base-Base interactions energy: -42.283
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.011
local terms energy: -45.694531
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -80.873167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.873167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.873167 (E_RNA)
where:
Base-Base interactions energy: -30.162
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.600
local terms energy: -50.111103
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -80.546815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546815 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -29.636
Base-Backbone interact. energy: -0.036
local terms energy: -47.793384
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -6.792
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: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -191.723297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.723297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.723297 (E_RNA)
where:
Base-Base interactions energy: -122.194
where: short stacking energy: -59.966
Base-Backbone interact. energy: -1.454
local terms energy: -68.074846
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -171.732491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.732491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.732491 (E_RNA)
where:
Base-Base interactions energy: -109.696
where: short stacking energy: -46.461
Base-Backbone interact. energy: 0.878
local terms energy: -62.914264
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.485
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: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -172.137688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.137688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.137688 (E_RNA)
where:
Base-Base interactions energy: -105.456
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.549
local terms energy: -66.133191
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -10.483
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -121.140955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.140955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.140955 (E_RNA)
where:
Base-Base interactions energy: -53.694
where: short stacking energy: -46.314
Base-Backbone interact. energy: -0.213
local terms energy: -67.234496
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -168.182028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.182028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.182028 (E_RNA)
where:
Base-Base interactions energy: -108.632
where: short stacking energy: -53.122
Base-Backbone interact. energy: -0.001
local terms energy: -59.548768
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -9.422
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -87.289311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.289311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.289311 (E_RNA)
where:
Base-Base interactions energy: -34.759
where: short stacking energy: -28.209
Base-Backbone interact. energy: -0.067
local terms energy: -52.463344
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: -8.355
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: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -81.579630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.579630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.579630 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.149
local terms energy: -49.233813
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -94.005711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.005711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.005711 (E_RNA)
where:
Base-Base interactions energy: -45.518
where: short stacking energy: -23.662
Base-Backbone interact. energy: -0.776
local terms energy: -47.711457
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -2.236
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -89.247706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.247706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.247706 (E_RNA)
where:
Base-Base interactions energy: -38.400
where: short stacking energy: -35.757
Base-Backbone interact. energy: -0.364
local terms energy: -50.483500
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -81.987345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.987345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.987345 (E_RNA)
where:
Base-Base interactions energy: -27.798
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.562
local terms energy: -53.626996
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -2.266
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: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -196.699203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.699203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.699203 (E_RNA)
where:
Base-Base interactions energy: -124.077
where: short stacking energy: -66.759
Base-Backbone interact. energy: -0.400
local terms energy: -72.221706
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -176.539148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.539148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.539148 (E_RNA)
where:
Base-Base interactions energy: -105.595
where: short stacking energy: -63.263
Base-Backbone interact. energy: -2.729
local terms energy: -68.215368
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -174.018929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.018929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.018929 (E_RNA)
where:
Base-Base interactions energy: -104.143
where: short stacking energy: -55.642
Base-Backbone interact. energy: -0.042
local terms energy: -69.834044
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -158.474932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.474932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.474932 (E_RNA)
where:
Base-Base interactions energy: -96.564
where: short stacking energy: -49.909
Base-Backbone interact. energy: -1.171
local terms energy: -60.740718
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -113.931183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.931183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.931183 (E_RNA)
where:
Base-Base interactions energy: -58.291
where: short stacking energy: -34.065
Base-Backbone interact. energy: -0.094
local terms energy: -55.545453
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -8.956
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: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -91.968779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.968779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.968779 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -34.567
Base-Backbone interact. energy: -0.179
local terms energy: -57.222867
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -100.433579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.433579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.433579 (E_RNA)
where:
Base-Base interactions energy: -44.702
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.017
local terms energy: -55.714948
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -4.561
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: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -85.322253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.322253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.322253 (E_RNA)
where:
Base-Base interactions energy: -39.071
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.690
local terms energy: -45.560830
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -5.273
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: 9
Temperature: 1.300000
Total energy: -83.383103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.383103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.383103 (E_RNA)
where:
Base-Base interactions energy: -36.031
where: short stacking energy: -22.589
Base-Backbone interact. energy: -0.572
local terms energy: -46.780664
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: 1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -83.072376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.072376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.072376 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -26.081
Base-Backbone interact. energy: -0.703
local terms energy: -55.835999
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -6.226
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: 10
Temperature: 0.900000
Total energy: -180.715960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.715960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.715960 (E_RNA)
where:
Base-Base interactions energy: -106.501
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.056
local terms energy: -74.158982
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -18.993
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: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -200.822537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.822537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.822537 (E_RNA)
where:
Base-Base interactions energy: -128.817
where: short stacking energy: -58.522
Base-Backbone interact. energy: -0.353
local terms energy: -71.652433
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -179.151329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.151329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.151329 (E_RNA)
where:
Base-Base interactions energy: -103.564
where: short stacking energy: -66.546
Base-Backbone interact. energy: -1.034
local terms energy: -74.553273
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -12.994
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: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -175.407437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.407437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.407437 (E_RNA)
where:
Base-Base interactions energy: -109.652
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.981
local terms energy: -64.774696
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -94.293819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293819 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -27.703
Base-Backbone interact. energy: -0.111
local terms energy: -57.851319
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: 1.545
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: 10
Temperature: 1.150000
Total energy: -106.615883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.615883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.615883 (E_RNA)
where:
Base-Base interactions energy: -46.356
where: short stacking energy: -39.968
Base-Backbone interact. energy: -0.028
local terms energy: -60.232097
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -2.546
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: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -83.293024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293024 (E_RNA)
where:
Base-Base interactions energy: -33.226
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.902
local terms energy: -49.164655
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -99.866486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.866486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.866486 (E_RNA)
where:
Base-Base interactions energy: -50.364
where: short stacking energy: -27.094
Base-Backbone interact. energy: -0.178
local terms energy: -49.324058
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -81.868528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.868528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.868528 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -28.167
Base-Backbone interact. energy: -0.323
local terms energy: -50.493623
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -72.048314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.048314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.048314 (E_RNA)
where:
Base-Base interactions energy: -31.489
where: short stacking energy: -29.783
Base-Backbone interact. energy: -0.758
local terms energy: -39.801017
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -5.578
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: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -197.039838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.039838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.039838 (E_RNA)
where:
Base-Base interactions energy: -120.494
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.424
local terms energy: -76.121413
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -9.250
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -161.817990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.817990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.817990 (E_RNA)
where:
Base-Base interactions energy: -93.018
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.047
local terms energy: -68.752825
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -192.011720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.011720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.011720 (E_RNA)
where:
Base-Base interactions energy: -120.724
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.964
local terms energy: -70.324093
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -162.089428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.089428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.089428 (E_RNA)
where:
Base-Base interactions energy: -92.416
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.047
local terms energy: -69.626635
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -117.934655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.934655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.934655 (E_RNA)
where:
Base-Base interactions energy: -60.031
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.115
local terms energy: -57.788533
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -103.015033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.015033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.015033 (E_RNA)
where:
Base-Base interactions energy: -41.611
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.124
local terms energy: -61.280022
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -93.898733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.898733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.898733 (E_RNA)
where:
Base-Base interactions energy: -40.520
where: short stacking energy: -25.944
Base-Backbone interact. energy: -0.067
local terms energy: -53.311660
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -6.865
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: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -83.363988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363988 (E_RNA)
where:
Base-Base interactions energy: -33.322
where: short stacking energy: -25.055
Base-Backbone interact. energy: 2.246
local terms energy: -52.287476
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -4.222
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -99.235977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.235977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.235977 (E_RNA)
where:
Base-Base interactions energy: -55.617
where: short stacking energy: -30.827
Base-Backbone interact. energy: -0.213
local terms energy: -43.406038
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -5.211
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: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -80.998630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.998630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.998630 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -29.132
Base-Backbone interact. energy: -0.107
local terms energy: -45.936804
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -0.523
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: 12
Temperature: 0.900000
Total energy: -171.497076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.497076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.497076 (E_RNA)
where:
Base-Base interactions energy: -109.042
where: short stacking energy: -52.502
Base-Backbone interact. energy: -1.267
local terms energy: -61.187723
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -11.833
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: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -177.083513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.083513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.083513 (E_RNA)
where:
Base-Base interactions energy: -113.849
where: short stacking energy: -64.156
Base-Backbone interact. energy: -0.374
local terms energy: -62.860618
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -9.396
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: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -190.259038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.259038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.259038 (E_RNA)
where:
Base-Base interactions energy: -122.859
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.105
local terms energy: -67.295513
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -13.791
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: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -170.212408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.212408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212408 (E_RNA)
where:
Base-Base interactions energy: -104.462
where: short stacking energy: -51.973
Base-Backbone interact. energy: -0.083
local terms energy: -65.667572
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -95.467327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.467327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.467327 (E_RNA)
where:
Base-Base interactions energy: -42.144
where: short stacking energy: -39.633
Base-Backbone interact. energy: -0.084
local terms energy: -53.239076
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -105.586900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.586900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.586900 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -38.652
Base-Backbone interact. energy: -0.002
local terms energy: -63.593363
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -103.692665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.692665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.692665 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -45.606
Base-Backbone interact. energy: -0.049
local terms energy: -58.037969
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -87.691780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.691780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.691780 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -28.758
Base-Backbone interact. energy: -0.270
local terms energy: -53.887528
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -79.223174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.223174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.223174 (E_RNA)
where:
Base-Base interactions energy: -28.986
where: short stacking energy: -23.929
Base-Backbone interact. energy: -0.227
local terms energy: -50.009278
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -85.590774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.590774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.590774 (E_RNA)
where:
Base-Base interactions energy: -38.084
where: short stacking energy: -28.613
Base-Backbone interact. energy: 0.093
local terms energy: -47.599805
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -3.593
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: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -182.199976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.199976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.199976 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -57.354
Base-Backbone interact. energy: -0.026
local terms energy: -67.128650
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -200.522396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.522396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.522396 (E_RNA)
where:
Base-Base interactions energy: -136.570
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.049
local terms energy: -63.902575
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -14.568
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -158.471189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.471189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.471189 (E_RNA)
where:
Base-Base interactions energy: -93.501
where: short stacking energy: -48.578
Base-Backbone interact. energy: 0.259
local terms energy: -65.229150
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -7.917
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: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -166.486197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.486197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.486197 (E_RNA)
where:
Base-Base interactions energy: -98.963
where: short stacking energy: -57.598
Base-Backbone interact. energy: -2.759
local terms energy: -64.763970
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -12.516
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: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -101.366691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.366691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.366691 (E_RNA)
where:
Base-Base interactions energy: -42.246
where: short stacking energy: -40.809
Base-Backbone interact. energy: -0.088
local terms energy: -59.032434
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -11.304
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: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -96.249488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.249488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.249488 (E_RNA)
where:
Base-Base interactions energy: -43.274
where: short stacking energy: -30.025
Base-Backbone interact. energy: -0.699
local terms energy: -52.275719
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -10.122
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: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -99.137479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.137479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.137479 (E_RNA)
where:
Base-Base interactions energy: -51.921
where: short stacking energy: -36.676
Base-Backbone interact. energy: -0.017
local terms energy: -47.198761
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -91.657765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.657765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.657765 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -32.286
Base-Backbone interact. energy: 0.601
local terms energy: -57.523225
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -86.468510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.468510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.468510 (E_RNA)
where:
Base-Base interactions energy: -35.725
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.054
local terms energy: -50.689998
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -1.937
tors. eta vs tors. theta energy: -6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -70.944439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.944439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.944439 (E_RNA)
where:
Base-Base interactions energy: -24.960
where: short stacking energy: -21.839
Base-Backbone interact. energy: -1.487
local terms energy: -44.497579
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -3.283
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: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -205.106813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.106813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.106813 (E_RNA)
where:
Base-Base interactions energy: -134.148
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.011
local terms energy: -70.947341
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -172.027762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.027762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.027762 (E_RNA)
where:
Base-Base interactions energy: -107.732
where: short stacking energy: -49.008
Base-Backbone interact. energy: -1.065
local terms energy: -63.230845
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -10.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -182.986643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.986643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.986643 (E_RNA)
where:
Base-Base interactions energy: -105.122
where: short stacking energy: -68.066
Base-Backbone interact. energy: -0.088
local terms energy: -77.776840
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -11.768
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: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -185.829154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.829154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.829154 (E_RNA)
where:
Base-Base interactions energy: -113.727
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.008
local terms energy: -72.093961
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -105.839125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.839125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.839125 (E_RNA)
where:
Base-Base interactions energy: -44.393
where: short stacking energy: -44.393
Base-Backbone interact. energy: 0.800
local terms energy: -62.246667
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -105.798428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.798428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.798428 (E_RNA)
where:
Base-Base interactions energy: -52.368
where: short stacking energy: -32.227
Base-Backbone interact. energy: 0.225
local terms energy: -53.655026
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -99.408088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.408088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.408088 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -39.478
Base-Backbone interact. energy: -0.040
local terms energy: -54.978355
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -86.877540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.877540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.877540 (E_RNA)
where:
Base-Base interactions energy: -41.431
where: short stacking energy: -32.222
Base-Backbone interact. energy: -0.240
local terms energy: -45.206492
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -83.579479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579479 (E_RNA)
where:
Base-Base interactions energy: -29.740
where: short stacking energy: -22.139
Base-Backbone interact. energy: -0.127
local terms energy: -53.711863
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -83.957211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.957211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.957211 (E_RNA)
where:
Base-Base interactions energy: -36.355
where: short stacking energy: -26.087
Base-Backbone interact. energy: -0.830
local terms energy: -46.772861
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -216.213543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.213543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.213543 (E_RNA)
where:
Base-Base interactions energy: -147.039
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.128
local terms energy: -69.047341
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -180.491336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.491336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.491336 (E_RNA)
where:
Base-Base interactions energy: -112.363
where: short stacking energy: -50.392
Base-Backbone interact. energy: 0.913
local terms energy: -69.041659
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -197.158332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.158332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.158332 (E_RNA)
where:
Base-Base interactions energy: -119.927
where: short stacking energy: -72.034
Base-Backbone interact. energy: -1.167
local terms energy: -76.064356
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -6.986
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: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -159.446926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.446926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.446926 (E_RNA)
where:
Base-Base interactions energy: -96.250
where: short stacking energy: -56.006
Base-Backbone interact. energy: -1.679
local terms energy: -61.517707
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -102.505753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.505753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.505753 (E_RNA)
where:
Base-Base interactions energy: -47.686
where: short stacking energy: -39.764
Base-Backbone interact. energy: -2.380
local terms energy: -52.439150
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -104.233141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.233141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.233141 (E_RNA)
where:
Base-Base interactions energy: -50.787
where: short stacking energy: -43.483
Base-Backbone interact. energy: 1.446
local terms energy: -54.892436
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -93.181961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.181961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.181961 (E_RNA)
where:
Base-Base interactions energy: -46.534
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.114
local terms energy: -46.533626
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -97.828867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.828867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.828867 (E_RNA)
where:
Base-Base interactions energy: -40.639
where: short stacking energy: -36.601
Base-Backbone interact. energy: -0.163
local terms energy: -57.026893
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -89.830046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.830046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.830046 (E_RNA)
where:
Base-Base interactions energy: -47.781
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.275
local terms energy: -41.773864
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -86.139449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.139449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.139449 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -26.777
Base-Backbone interact. energy: 0.063
local terms energy: -45.430616
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -1.226
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: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -217.773780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.773780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.773780 (E_RNA)
where:
Base-Base interactions energy: -140.021
where: short stacking energy: -64.537
Base-Backbone interact. energy: -1.614
local terms energy: -76.139453
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -173.158634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.158634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.158634 (E_RNA)
where:
Base-Base interactions energy: -107.247
where: short stacking energy: -68.261
Base-Backbone interact. energy: -0.036
local terms energy: -65.875449
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -164.000488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.000488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.000488 (E_RNA)
where:
Base-Base interactions energy: -92.473
where: short stacking energy: -50.530
Base-Backbone interact. energy: -0.617
local terms energy: -70.909944
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -185.817957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.817957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.817957 (E_RNA)
where:
Base-Base interactions energy: -113.379
where: short stacking energy: -53.646
Base-Backbone interact. energy: -0.012
local terms energy: -72.427088
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -12.110
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: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -111.050533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.050533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.050533 (E_RNA)
where:
Base-Base interactions energy: -53.978
where: short stacking energy: -41.134
Base-Backbone interact. energy: -2.099
local terms energy: -54.973785
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -91.584502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.584502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.584502 (E_RNA)
where:
Base-Base interactions energy: -31.133
where: short stacking energy: -30.128
Base-Backbone interact. energy: -0.288
local terms energy: -60.163732
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -91.027135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.027135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.027135 (E_RNA)
where:
Base-Base interactions energy: -41.011
where: short stacking energy: -41.011
Base-Backbone interact. energy: -0.102
local terms energy: -49.913684
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -82.128233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.128233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.128233 (E_RNA)
where:
Base-Base interactions energy: -31.213
where: short stacking energy: -27.377
Base-Backbone interact. energy: -0.313
local terms energy: -50.602171
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -1.482
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: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -113.599392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.599392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.599392 (E_RNA)
where:
Base-Base interactions energy: -45.797
where: short stacking energy: -45.797
Base-Backbone interact. energy: -0.008
local terms energy: -67.794178
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -16.832
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: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -77.576449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.576449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.576449 (E_RNA)
where:
Base-Base interactions energy: -37.232
where: short stacking energy: -36.548
Base-Backbone interact. energy: 0.943
local terms energy: -41.286771
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -7.741
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -203.146452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.146452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.146452 (E_RNA)
where:
Base-Base interactions energy: -126.407
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.807
local terms energy: -75.932638
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -201.784662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.784662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.784662 (E_RNA)
where:
Base-Base interactions energy: -133.773
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.569
local terms energy: -67.442580
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -169.231759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.231759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.231759 (E_RNA)
where:
Base-Base interactions energy: -99.094
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.024
local terms energy: -70.114410
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -184.186380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.186380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.186380 (E_RNA)
where:
Base-Base interactions energy: -110.653
where: short stacking energy: -57.343
Base-Backbone interact. energy: -0.362
local terms energy: -73.172318
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -13.979
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: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -105.775368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.775368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.775368 (E_RNA)
where:
Base-Base interactions energy: -51.157
where: short stacking energy: -28.021
Base-Backbone interact. energy: -0.145
local terms energy: -54.472898
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -2.888
tors. eta vs tors. theta energy: -6.878
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: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -97.422657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.422657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.422657 (E_RNA)
where:
Base-Base interactions energy: -41.536
where: short stacking energy: -38.019
Base-Backbone interact. energy: -0.100
local terms energy: -55.786460
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -108.665886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.665886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.665886 (E_RNA)
where:
Base-Base interactions energy: -55.391
where: short stacking energy: -21.608
Base-Backbone interact. energy: -0.206
local terms energy: -53.069294
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: 0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -85.653967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.653967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.653967 (E_RNA)
where:
Base-Base interactions energy: -33.646
where: short stacking energy: -27.626
Base-Backbone interact. energy: -0.105
local terms energy: -51.903578
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -3.608
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -78.593948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.593948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.593948 (E_RNA)
where:
Base-Base interactions energy: -33.551
where: short stacking energy: -25.596
Base-Backbone interact. energy: -0.185
local terms energy: -44.857733
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -2.882
tors. eta vs tors. theta energy: 2.126
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: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -74.948765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.948765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.948765 (E_RNA)
where:
Base-Base interactions energy: -25.188
where: short stacking energy: -24.468
Base-Backbone interact. energy: -0.174
local terms energy: -49.586500
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -211.616542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.616542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.616542 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.523
local terms energy: -75.439428
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -189.008418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.008418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.008418 (E_RNA)
where:
Base-Base interactions energy: -118.156
where: short stacking energy: -49.581
Base-Backbone interact. energy: -0.359
local terms energy: -70.493805
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -189.404631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.404631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.404631 (E_RNA)
where:
Base-Base interactions energy: -125.056
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.055
local terms energy: -64.293719
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -6.722
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: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -164.207432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.207432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.207432 (E_RNA)
where:
Base-Base interactions energy: -95.373
where: short stacking energy: -57.561
Base-Backbone interact. energy: -1.440
local terms energy: -67.394243
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -98.715614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.715614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.715614 (E_RNA)
where:
Base-Base interactions energy: -40.479
where: short stacking energy: -40.479
Base-Backbone interact. energy: -0.004
local terms energy: -58.232692
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -6.382
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: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -141.127014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.127014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.127014 (E_RNA)
where:
Base-Base interactions energy: -75.801
where: short stacking energy: -51.450
Base-Backbone interact. energy: -0.301
local terms energy: -65.024654
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -94.108898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.108898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.108898 (E_RNA)
where:
Base-Base interactions energy: -43.209
where: short stacking energy: -43.209
Base-Backbone interact. energy: -0.003
local terms energy: -50.896559
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -8.351
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -6.153
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: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -91.209998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.209998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.209998 (E_RNA)
where:
Base-Base interactions energy: -37.387
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.162
local terms energy: -53.660898
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -86.563673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.563673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.563673 (E_RNA)
where:
Base-Base interactions energy: -31.005
where: short stacking energy: -29.228
Base-Backbone interact. energy: -0.729
local terms energy: -54.829783
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -73.679213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.679213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.679213 (E_RNA)
where:
Base-Base interactions energy: -27.063
where: short stacking energy: -25.617
Base-Backbone interact. energy: -0.475
local terms energy: -46.140262
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: 0.303
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: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -212.717701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.717701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.717701 (E_RNA)
where:
Base-Base interactions energy: -135.500
where: short stacking energy: -66.671
Base-Backbone interact. energy: -0.122
local terms energy: -77.095909
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -197.827332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.827332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.827332 (E_RNA)
where:
Base-Base interactions energy: -121.443
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.391
local terms energy: -75.992988
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -185.412545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.412545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.412545 (E_RNA)
where:
Base-Base interactions energy: -118.032
where: short stacking energy: -72.470
Base-Backbone interact. energy: -0.254
local terms energy: -67.126217
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -8.307
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: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -159.591460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.591460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.591460 (E_RNA)
where:
Base-Base interactions energy: -98.996
where: short stacking energy: -61.430
Base-Backbone interact. energy: -0.004
local terms energy: -60.590730
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -105.732247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.732247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.732247 (E_RNA)
where:
Base-Base interactions energy: -44.247
where: short stacking energy: -44.247
Base-Backbone interact. energy: -0.019
local terms energy: -61.465591
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -13.684
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: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -154.537516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.537516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.537516 (E_RNA)
where:
Base-Base interactions energy: -95.692
where: short stacking energy: -49.714
Base-Backbone interact. energy: -0.125
local terms energy: -58.720592
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -103.002641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.002641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.002641 (E_RNA)
where:
Base-Base interactions energy: -39.670
where: short stacking energy: -36.079
Base-Backbone interact. energy: -0.032
local terms energy: -63.300573
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -10.210
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -90.774735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.774735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.774735 (E_RNA)
where:
Base-Base interactions energy: -34.974
where: short stacking energy: -25.952
Base-Backbone interact. energy: -0.113
local terms energy: -55.687414
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -81.311004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.311004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.311004 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.231
local terms energy: -46.752915
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -72.454648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.454648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.454648 (E_RNA)
where:
Base-Base interactions energy: -26.758
where: short stacking energy: -20.951
Base-Backbone interact. energy: 0.416
local terms energy: -46.112648
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: 4.107
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: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -216.469714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.469714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.469714 (E_RNA)
where:
Base-Base interactions energy: -139.212
where: short stacking energy: -67.533
Base-Backbone interact. energy: -0.011
local terms energy: -77.245998
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -18.961
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: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -205.422429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.422429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.422429 (E_RNA)
where:
Base-Base interactions energy: -127.374
where: short stacking energy: -73.407
Base-Backbone interact. energy: -1.774
local terms energy: -76.274297
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -180.455578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.455578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.455578 (E_RNA)
where:
Base-Base interactions energy: -115.245
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.137
local terms energy: -65.073656
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -160.686602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.686602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.686602 (E_RNA)
where:
Base-Base interactions energy: -100.822
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.008
local terms energy: -59.856909
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -12.296
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: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -166.477850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.477850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.477850 (E_RNA)
where:
Base-Base interactions energy: -106.008
where: short stacking energy: -50.753
Base-Backbone interact. energy: -0.031
local terms energy: -60.438380
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -104.528518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.528518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.528518 (E_RNA)
where:
Base-Base interactions energy: -46.390
where: short stacking energy: -45.406
Base-Backbone interact. energy: 0.613
local terms energy: -58.751577
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -5.749
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: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -97.199423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.199423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.199423 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.002
local terms energy: -57.864041
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -83.298733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.298733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.298733 (E_RNA)
where:
Base-Base interactions energy: -36.274
where: short stacking energy: -34.709
Base-Backbone interact. energy: 1.167
local terms energy: -48.191074
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -104.709868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.709868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.709868 (E_RNA)
where:
Base-Base interactions energy: -58.936
where: short stacking energy: -36.767
Base-Backbone interact. energy: 2.245
local terms energy: -48.018985
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -4.478
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: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -80.997751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.997751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.997751 (E_RNA)
where:
Base-Base interactions energy: -38.714
where: short stacking energy: -20.701
Base-Backbone interact. energy: 0.477
local terms energy: -42.761074
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -7.494
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -214.366648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.366648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.366648 (E_RNA)
where:
Base-Base interactions energy: -132.247
where: short stacking energy: -63.111
Base-Backbone interact. energy: 0.285
local terms energy: -82.404626
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -190.416499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.416499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.416499 (E_RNA)
where:
Base-Base interactions energy: -117.779
where: short stacking energy: -62.515
Base-Backbone interact. energy: -0.008
local terms energy: -72.629752
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -161.934301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.934301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.934301 (E_RNA)
where:
Base-Base interactions energy: -90.023
where: short stacking energy: -54.665
Base-Backbone interact. energy: -1.533
local terms energy: -70.378029
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -163.865235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.865235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.865235 (E_RNA)
where:
Base-Base interactions energy: -98.615
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.126
local terms energy: -65.124779
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -169.068750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.068750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.068750 (E_RNA)
where:
Base-Base interactions energy: -102.848
where: short stacking energy: -50.465
Base-Backbone interact. energy: -0.020
local terms energy: -66.200398
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -100.180852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.180852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.180852 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -38.985
Base-Backbone interact. energy: -0.217
local terms energy: -60.978947
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -5.913
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: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -98.435210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.435210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.435210 (E_RNA)
where:
Base-Base interactions energy: -40.182
where: short stacking energy: -30.100
Base-Backbone interact. energy: -0.194
local terms energy: -58.058786
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -92.533453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.533453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.533453 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -33.897
Base-Backbone interact. energy: -0.394
local terms energy: -58.243170
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -80.030331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.030331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.030331 (E_RNA)
where:
Base-Base interactions energy: -32.005
where: short stacking energy: -27.440
Base-Backbone interact. energy: -0.102
local terms energy: -47.923022
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -7.104
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: 21
Temperature: 1.350000
Total energy: -86.966546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.966546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.966546 (E_RNA)
where:
Base-Base interactions energy: -35.027
where: short stacking energy: -30.074
Base-Backbone interact. energy: -0.233
local terms energy: -51.707029
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -6.997
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: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -212.686361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.686361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.686361 (E_RNA)
where:
Base-Base interactions energy: -134.669
where: short stacking energy: -59.601
Base-Backbone interact. energy: -0.056
local terms energy: -77.961859
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -185.164181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.164181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.164181 (E_RNA)
where:
Base-Base interactions energy: -114.648
where: short stacking energy: -62.231
Base-Backbone interact. energy: -0.688
local terms energy: -69.827588
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -170.730517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.730517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.730517 (E_RNA)
where:
Base-Base interactions energy: -103.350
where: short stacking energy: -46.506
Base-Backbone interact. energy: -0.065
local terms energy: -67.315153
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -165.431304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.431304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.431304 (E_RNA)
where:
Base-Base interactions energy: -105.685
where: short stacking energy: -50.446
Base-Backbone interact. energy: -0.156
local terms energy: -59.590901
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -152.097500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.097500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.097500 (E_RNA)
where:
Base-Base interactions energy: -92.787
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.250
local terms energy: -59.060285
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -105.212810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.212810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.212810 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -42.583
Base-Backbone interact. energy: -0.060
local terms energy: -62.569504
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -9.837
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: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -85.089085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.089085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.089085 (E_RNA)
where:
Base-Base interactions energy: -28.392
where: short stacking energy: -27.715
Base-Backbone interact. energy: -0.359
local terms energy: -56.337693
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -1.343
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: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -90.120872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.120872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.120872 (E_RNA)
where:
Base-Base interactions energy: -38.249
where: short stacking energy: -37.006
Base-Backbone interact. energy: -0.138
local terms energy: -51.733443
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -6.905
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: 9, replica: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -81.838939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.838939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.838939 (E_RNA)
where:
Base-Base interactions energy: -35.595
where: short stacking energy: -28.785
Base-Backbone interact. energy: 0.516
local terms energy: -46.760031
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -82.447596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.447596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.447596 (E_RNA)
where:
Base-Base interactions energy: -29.108
where: short stacking energy: -24.104
Base-Backbone interact. energy: -0.245
local terms energy: -53.094269
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -213.620574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.620574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.620574 (E_RNA)
where:
Base-Base interactions energy: -145.081
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.034
local terms energy: -68.505922
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -184.789065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.789065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.789065 (E_RNA)
where:
Base-Base interactions energy: -113.284
where: short stacking energy: -62.478
Base-Backbone interact. energy: 0.574
local terms energy: -72.079318
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -14.624
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: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -196.752491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.752491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.752491 (E_RNA)
where:
Base-Base interactions energy: -118.416
where: short stacking energy: -55.987
Base-Backbone interact. energy: -1.499
local terms energy: -76.837255
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -182.364064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.364064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.364064 (E_RNA)
where:
Base-Base interactions energy: -111.873
where: short stacking energy: -69.450
Base-Backbone interact. energy: -2.143
local terms energy: -68.347784
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -164.680636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.680636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.680636 (E_RNA)
where:
Base-Base interactions energy: -100.863
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.089
local terms energy: -63.728276
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -107.302675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.302675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.302675 (E_RNA)
where:
Base-Base interactions energy: -55.960
where: short stacking energy: -44.157
Base-Backbone interact. energy: -0.013
local terms energy: -51.329422
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -86.586887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.586887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.586887 (E_RNA)
where:
Base-Base interactions energy: -30.492
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.783
local terms energy: -55.311505
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: 1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -84.666598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.666598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.666598 (E_RNA)
where:
Base-Base interactions energy: -29.429
where: short stacking energy: -24.938
Base-Backbone interact. energy: -0.233
local terms energy: -55.004975
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -87.901919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.901919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.901919 (E_RNA)
where:
Base-Base interactions energy: -33.781
where: short stacking energy: -24.675
Base-Backbone interact. energy: -0.119
local terms energy: -54.002241
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -73.135853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.135853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.135853 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -17.380
Base-Backbone interact. energy: -0.070
local terms energy: -46.385499
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: 4.637
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: 24
Temperature: 0.900000
Total energy: -181.881295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.881295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.881295 (E_RNA)
where:
Base-Base interactions energy: -107.489
where: short stacking energy: -58.915
Base-Backbone interact. energy: -0.001
local terms energy: -74.391208
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -207.916265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.916265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.916265 (E_RNA)
where:
Base-Base interactions energy: -135.790
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.041
local terms energy: -72.084525
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -178.008662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.008662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.008662 (E_RNA)
where:
Base-Base interactions energy: -117.910
where: short stacking energy: -58.082
Base-Backbone interact. energy: -0.875
local terms energy: -59.223873
where:
bonds (distance) C4'-P energy: -7.774
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -149.874573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.874573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.874573 (E_RNA)
where:
Base-Base interactions energy: -87.951
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.319
local terms energy: -61.605262
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -6.242
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: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -168.435826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.435826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.435826 (E_RNA)
where:
Base-Base interactions energy: -97.894
where: short stacking energy: -58.212
Base-Backbone interact. energy: -0.024
local terms energy: -70.518083
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -15.856
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: 24
Temperature: 1.150000
Total energy: -86.850621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.850621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.850621 (E_RNA)
where:
Base-Base interactions energy: -40.951
where: short stacking energy: -40.951
Base-Backbone interact. energy: 4.467
local terms energy: -50.366997
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -6.379
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: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -104.178127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.178127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.178127 (E_RNA)
where:
Base-Base interactions energy: -49.337
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.052
local terms energy: -54.789016
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -90.269436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.269436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.269436 (E_RNA)
where:
Base-Base interactions energy: -37.425
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.160
local terms energy: -52.684073
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -83.057127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.057127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.057127 (E_RNA)
where:
Base-Base interactions energy: -35.843
where: short stacking energy: -35.502
Base-Backbone interact. energy: -0.071
local terms energy: -47.142718
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -4.549
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: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -80.887715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.887715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.887715 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -27.181
Base-Backbone interact. energy: 0.578
local terms energy: -54.285497
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -6.916
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: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -186.841611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.841611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.841611 (E_RNA)
where:
Base-Base interactions energy: -108.948
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.100
local terms energy: -77.793245
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -188.821095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.821095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.821095 (E_RNA)
where:
Base-Base interactions energy: -127.141
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.094
local terms energy: -61.585532
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -13.400
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: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -192.457098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.457098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.457098 (E_RNA)
where:
Base-Base interactions energy: -113.586
where: short stacking energy: -65.960
Base-Backbone interact. energy: -0.004
local terms energy: -78.867611
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -160.991606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.991606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.991606 (E_RNA)
where:
Base-Base interactions energy: -97.317
where: short stacking energy: -50.676
Base-Backbone interact. energy: -1.564
local terms energy: -62.110258
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -10.735
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: 25
Temperature: 1.100000
Total energy: -170.148947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.148947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.148947 (E_RNA)
where:
Base-Base interactions energy: -107.188
where: short stacking energy: -53.047
Base-Backbone interact. energy: -0.053
local terms energy: -62.907865
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -105.266258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.266258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.266258 (E_RNA)
where:
Base-Base interactions energy: -42.445
where: short stacking energy: -37.851
Base-Backbone interact. energy: -0.087
local terms energy: -62.734604
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -6.563
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -90.283722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.283722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.283722 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.129
local terms energy: -59.430688
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -89.020883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.020883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.020883 (E_RNA)
where:
Base-Base interactions energy: -44.196
where: short stacking energy: -34.558
Base-Backbone interact. energy: -0.125
local terms energy: -44.699784
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -4.057
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: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -80.304835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.304835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.304835 (E_RNA)
where:
Base-Base interactions energy: -30.630
where: short stacking energy: -31.330
Base-Backbone interact. energy: -0.195
local terms energy: -49.480143
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -79.289913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.289913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.289913 (E_RNA)
where:
Base-Base interactions energy: -32.188
where: short stacking energy: -27.792
Base-Backbone interact. energy: 3.540
local terms energy: -50.641447
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -11.286
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: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -200.757407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.757407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.757407 (E_RNA)
where:
Base-Base interactions energy: -131.868
where: short stacking energy: -60.157
Base-Backbone interact. energy: -0.168
local terms energy: -68.720898
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -181.456935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.456935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.456935 (E_RNA)
where:
Base-Base interactions energy: -112.103
where: short stacking energy: -61.129
Base-Backbone interact. energy: -0.008
local terms energy: -69.346497
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -16.586
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: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -200.513015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.513015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.513015 (E_RNA)
where:
Base-Base interactions energy: -128.316
where: short stacking energy: -59.369
Base-Backbone interact. energy: -0.139
local terms energy: -72.058074
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -155.627742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.627742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.627742 (E_RNA)
where:
Base-Base interactions energy: -88.087
where: short stacking energy: -44.302
Base-Backbone interact. energy: -0.356
local terms energy: -67.184292
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -111.859213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.859213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.859213 (E_RNA)
where:
Base-Base interactions energy: -47.209
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.064
local terms energy: -64.585755
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -148.384320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.384320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.384320 (E_RNA)
where:
Base-Base interactions energy: -86.723
where: short stacking energy: -56.005
Base-Backbone interact. energy: -0.017
local terms energy: -61.644270
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -102.115603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.115603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.115603 (E_RNA)
where:
Base-Base interactions energy: -55.997
where: short stacking energy: -39.249
Base-Backbone interact. energy: 0.684
local terms energy: -46.802710
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -8.360
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: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -89.689320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.689320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.689320 (E_RNA)
where:
Base-Base interactions energy: -35.474
where: short stacking energy: -20.638
Base-Backbone interact. energy: -0.508
local terms energy: -53.707076
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -81.680169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.680169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.680169 (E_RNA)
where:
Base-Base interactions energy: -28.324
where: short stacking energy: -28.027
Base-Backbone interact. energy: -0.034
local terms energy: -53.321338
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -9.073
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: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -73.363868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.363868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.363868 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -31.932
Base-Backbone interact. energy: -0.087
local terms energy: -39.470259
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -7.817
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -195.916667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.916667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.916667 (E_RNA)
where:
Base-Base interactions energy: -125.959
where: short stacking energy: -55.689
Base-Backbone interact. energy: -0.515
local terms energy: -69.442078
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -10.396
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: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -203.311543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.311543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.311543 (E_RNA)
where:
Base-Base interactions energy: -126.183
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.000
local terms energy: -77.128475
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -21.786
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: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -186.447209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.447209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.447209 (E_RNA)
where:
Base-Base interactions energy: -117.795
where: short stacking energy: -53.242
Base-Backbone interact. energy: -1.134
local terms energy: -67.517881
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -172.963068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.963068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.963068 (E_RNA)
where:
Base-Base interactions energy: -117.255
where: short stacking energy: -49.770
Base-Backbone interact. energy: -1.111
local terms energy: -54.596463
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -9.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -141.364958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.364958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.364958 (E_RNA)
where:
Base-Base interactions energy: -85.764
where: short stacking energy: -51.777
Base-Backbone interact. energy: -0.022
local terms energy: -55.578934
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -146.966078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.966078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.966078 (E_RNA)
where:
Base-Base interactions energy: -85.855
where: short stacking energy: -43.830
Base-Backbone interact. energy: -0.181
local terms energy: -60.929962
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -2.355
tors. eta vs tors. theta energy: -10.724
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: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -107.613909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.613909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.613909 (E_RNA)
where:
Base-Base interactions energy: -52.051
where: short stacking energy: -38.992
Base-Backbone interact. energy: -0.269
local terms energy: -55.294021
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -81.075612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.075612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.075612 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -29.960
Base-Backbone interact. energy: -0.116
local terms energy: -47.093913
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -92.222579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.222579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.222579 (E_RNA)
where:
Base-Base interactions energy: -44.487
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.470
local terms energy: -47.265353
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -85.332910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.332910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.332910 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -35.624
Base-Backbone interact. energy: -0.499
local terms energy: -49.210295
where:
bonds (distance) C4'-P energy: -8.007
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -213.617893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.617893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.617893 (E_RNA)
where:
Base-Base interactions energy: -137.991
where: short stacking energy: -52.274
Base-Backbone interact. energy: -0.583
local terms energy: -75.043560
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -15.282
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: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -180.783200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.783200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.783200 (E_RNA)
where:
Base-Base interactions energy: -109.413
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.669
local terms energy: -70.700937
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -180.506513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.506513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.506513 (E_RNA)
where:
Base-Base interactions energy: -107.339
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.327
local terms energy: -72.839798
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -159.664947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.664947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.664947 (E_RNA)
where:
Base-Base interactions energy: -91.895
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.881
local terms energy: -66.889686
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -9.387
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -161.771104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.771104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.771104 (E_RNA)
where:
Base-Base interactions energy: -83.918
where: short stacking energy: -47.760
Base-Backbone interact. energy: -0.014
local terms energy: -77.839486
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -145.920479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.920479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.920479 (E_RNA)
where:
Base-Base interactions energy: -86.945
where: short stacking energy: -50.319
Base-Backbone interact. energy: -0.085
local terms energy: -58.890102
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -7.296
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: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -122.227352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.227352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.227352 (E_RNA)
where:
Base-Base interactions energy: -67.137
where: short stacking energy: -34.364
Base-Backbone interact. energy: -0.003
local terms energy: -55.087157
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -90.811512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.811512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.811512 (E_RNA)
where:
Base-Base interactions energy: -39.709
where: short stacking energy: -26.909
Base-Backbone interact. energy: -0.026
local terms energy: -51.077146
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -82.817638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.817638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.817638 (E_RNA)
where:
Base-Base interactions energy: -26.145
where: short stacking energy: -23.503
Base-Backbone interact. energy: -0.350
local terms energy: -56.322670
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -3.331
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: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -76.493217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.493217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.493217 (E_RNA)
where:
Base-Base interactions energy: -33.133
where: short stacking energy: -24.747
Base-Backbone interact. energy: -0.635
local terms energy: -42.725333
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -218.739947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.739947 (E_RNA)
where:
Base-Base interactions energy: -144.767
where: short stacking energy: -77.657
Base-Backbone interact. energy: 0.163
local terms energy: -74.135782
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -193.113229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.113229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.113229 (E_RNA)
where:
Base-Base interactions energy: -127.740
where: short stacking energy: -69.849
Base-Backbone interact. energy: 0.244
local terms energy: -65.616696
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -18.285
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: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -182.516315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.516315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.516315 (E_RNA)
where:
Base-Base interactions energy: -114.786
where: short stacking energy: -58.286
Base-Backbone interact. energy: -0.262
local terms energy: -67.468513
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -182.966246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.966246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.966246 (E_RNA)
where:
Base-Base interactions energy: -122.672
where: short stacking energy: -64.629
Base-Backbone interact. energy: -0.534
local terms energy: -59.760603
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -159.390698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.390698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.390698 (E_RNA)
where:
Base-Base interactions energy: -95.945
where: short stacking energy: -52.854
Base-Backbone interact. energy: -0.312
local terms energy: -63.134107
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -9.179
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: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -155.690975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.690975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.690975 (E_RNA)
where:
Base-Base interactions energy: -95.229
where: short stacking energy: -47.583
Base-Backbone interact. energy: -0.117
local terms energy: -60.345185
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -82.166369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.166369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.166369 (E_RNA)
where:
Base-Base interactions energy: -27.970
where: short stacking energy: -27.663
Base-Backbone interact. energy: -0.066
local terms energy: -54.130548
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -83.654355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.654355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.654355 (E_RNA)
where:
Base-Base interactions energy: -34.039
where: short stacking energy: -34.039
Base-Backbone interact. energy: 0.451
local terms energy: -50.066668
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -7.087
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: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -79.934500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.934500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.934500 (E_RNA)
where:
Base-Base interactions energy: -26.714
where: short stacking energy: -25.335
Base-Backbone interact. energy: -0.822
local terms energy: -52.398353
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -1.654
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: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -91.339764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.339764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.339764 (E_RNA)
where:
Base-Base interactions energy: -40.452
where: short stacking energy: -38.980
Base-Backbone interact. energy: -0.060
local terms energy: -50.826932
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -217.525112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.525112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.525112 (E_RNA)
where:
Base-Base interactions energy: -136.264
where: short stacking energy: -69.145
Base-Backbone interact. energy: -0.067
local terms energy: -81.194030
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -198.141571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.141571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.141571 (E_RNA)
where:
Base-Base interactions energy: -122.935
where: short stacking energy: -73.160
Base-Backbone interact. energy: -0.164
local terms energy: -75.042811
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -184.455085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.455085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.455085 (E_RNA)
where:
Base-Base interactions energy: -115.722
where: short stacking energy: -57.156
Base-Backbone interact. energy: -0.537
local terms energy: -68.196882
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -159.382856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.382856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.382856 (E_RNA)
where:
Base-Base interactions energy: -100.832
where: short stacking energy: -51.347
Base-Backbone interact. energy: -0.049
local terms energy: -58.502342
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -12.908
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: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -170.562721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.562721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.562721 (E_RNA)
where:
Base-Base interactions energy: -103.414
where: short stacking energy: -50.456
Base-Backbone interact. energy: -0.185
local terms energy: -66.963675
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -14.435
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: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -144.087172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.087172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.087172 (E_RNA)
where:
Base-Base interactions energy: -86.418
where: short stacking energy: -46.002
Base-Backbone interact. energy: -0.567
local terms energy: -57.102235
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -92.541541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.541541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.541541 (E_RNA)
where:
Base-Base interactions energy: -45.184
where: short stacking energy: -34.182
Base-Backbone interact. energy: -0.211
local terms energy: -47.146276
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -1.040
tors. eta vs tors. theta energy: -1.682
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: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -82.004986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.004986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.004986 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -21.676
Base-Backbone interact. energy: 0.131
local terms energy: -48.512263
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -0.654
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: 30
Temperature: 1.300000
Total energy: -88.432147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.432147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.432147 (E_RNA)
where:
Base-Base interactions energy: -34.525
where: short stacking energy: -34.525
Base-Backbone interact. energy: -0.015
local terms energy: -53.892031
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -7.239
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: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -79.857804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.857804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.857804 (E_RNA)
where:
Base-Base interactions energy: -40.452
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.082
local terms energy: -39.324067
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -8.027
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -2.953
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: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -218.870497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.870497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.870497 (E_RNA)
where:
Base-Base interactions energy: -141.210
where: short stacking energy: -63.997
Base-Backbone interact. energy: -1.215
local terms energy: -76.445362
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -188.249207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.249207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.249207 (E_RNA)
where:
Base-Base interactions energy: -121.836
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.284
local terms energy: -66.128775
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -180.870750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.870750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.870750 (E_RNA)
where:
Base-Base interactions energy: -113.776
where: short stacking energy: -60.181
Base-Backbone interact. energy: -0.005
local terms energy: -67.089862
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -168.698131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.698131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.698131 (E_RNA)
where:
Base-Base interactions energy: -104.571
where: short stacking energy: -48.994
Base-Backbone interact. energy: -0.046
local terms energy: -64.081089
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -155.143538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.143538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.143538 (E_RNA)
where:
Base-Base interactions energy: -84.690
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.077
local terms energy: -70.376575
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.253
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: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -164.827546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.827546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.827546 (E_RNA)
where:
Base-Base interactions energy: -90.255
where: short stacking energy: -48.243
Base-Backbone interact. energy: -0.146
local terms energy: -74.426583
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -14.332
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -88.972927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.972927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.972927 (E_RNA)
where:
Base-Base interactions energy: -41.121
where: short stacking energy: -37.020
Base-Backbone interact. energy: -0.092
local terms energy: -47.760701
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -82.877469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.877469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.877469 (E_RNA)
where:
Base-Base interactions energy: -31.634
where: short stacking energy: -30.332
Base-Backbone interact. energy: -0.240
local terms energy: -51.003578
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -93.083651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.083651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.083651 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -29.056
Base-Backbone interact. energy: -0.280
local terms energy: -52.983260
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -78.208600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.208600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.208600 (E_RNA)
where:
Base-Base interactions energy: -44.667
where: short stacking energy: -23.973
Base-Backbone interact. energy: 0.687
local terms energy: -34.228912
where:
bonds (distance) C4'-P energy: -6.225
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -0.122
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: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -199.820870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.820870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.820870 (E_RNA)
where:
Base-Base interactions energy: -128.215
where: short stacking energy: -68.838
Base-Backbone interact. energy: -0.292
local terms energy: -71.313189
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -196.852777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.852777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.852777 (E_RNA)
where:
Base-Base interactions energy: -127.874
where: short stacking energy: -67.269
Base-Backbone interact. energy: -0.058
local terms energy: -68.920433
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -18.308
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: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -173.623411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.623411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.623411 (E_RNA)
where:
Base-Base interactions energy: -100.782
where: short stacking energy: -58.138
Base-Backbone interact. energy: -0.348
local terms energy: -72.493279
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -170.876060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.876060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.876060 (E_RNA)
where:
Base-Base interactions energy: -106.017
where: short stacking energy: -53.696
Base-Backbone interact. energy: -0.016
local terms energy: -64.844032
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -166.248939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.248939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.248939 (E_RNA)
where:
Base-Base interactions energy: -102.540
where: short stacking energy: -52.256
Base-Backbone interact. energy: -0.015
local terms energy: -63.693934
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -142.511711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.511711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.511711 (E_RNA)
where:
Base-Base interactions energy: -86.943
where: short stacking energy: -46.754
Base-Backbone interact. energy: -0.101
local terms energy: -55.467659
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -87.494118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.494118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.494118 (E_RNA)
where:
Base-Base interactions energy: -37.766
where: short stacking energy: -34.127
Base-Backbone interact. energy: -0.207
local terms energy: -49.520431
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -10.614
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: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -97.658240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.658240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.658240 (E_RNA)
where:
Base-Base interactions energy: -39.139
where: short stacking energy: -23.952
Base-Backbone interact. energy: -0.015
local terms energy: -58.504297
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -91.209517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.209517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.209517 (E_RNA)
where:
Base-Base interactions energy: -37.503
where: short stacking energy: -35.352
Base-Backbone interact. energy: -0.228
local terms energy: -53.478872
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -79.385886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.385886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.385886 (E_RNA)
where:
Base-Base interactions energy: -39.811
where: short stacking energy: -26.996
Base-Backbone interact. energy: -0.328
local terms energy: -39.246345
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -196.014674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.014674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.014674 (E_RNA)
where:
Base-Base interactions energy: -120.279
where: short stacking energy: -61.758
Base-Backbone interact. energy: -0.238
local terms energy: -75.497418
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -200.804517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.804517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.804517 (E_RNA)
where:
Base-Base interactions energy: -123.746
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.014
local terms energy: -77.044857
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -21.391
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: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -187.136499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.136499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.136499 (E_RNA)
where:
Base-Base interactions energy: -110.106
where: short stacking energy: -62.389
Base-Backbone interact. energy: -0.143
local terms energy: -76.888040
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -15.965
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: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -169.630540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.630540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.630540 (E_RNA)
where:
Base-Base interactions energy: -99.960
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.050
local terms energy: -69.620580
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -166.716572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.716572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.716572 (E_RNA)
where:
Base-Base interactions energy: -90.785
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.006
local terms energy: -75.925095
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -11.009
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: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -150.039715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.039715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.039715 (E_RNA)
where:
Base-Base interactions energy: -90.737
where: short stacking energy: -51.024
Base-Backbone interact. energy: -2.043
local terms energy: -57.259371
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -8.241
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: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -90.166003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.166003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.166003 (E_RNA)
where:
Base-Base interactions energy: -38.734
where: short stacking energy: -29.132
Base-Backbone interact. energy: -0.208
local terms energy: -51.223958
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -2.472
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: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -119.021274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.021274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.021274 (E_RNA)
where:
Base-Base interactions energy: -66.056
where: short stacking energy: -39.378
Base-Backbone interact. energy: -0.020
local terms energy: -52.945508
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -5.350
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: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -79.955712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.955712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.955712 (E_RNA)
where:
Base-Base interactions energy: -28.123
where: short stacking energy: -27.805
Base-Backbone interact. energy: -0.398
local terms energy: -51.434981
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -83.917362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.917362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.917362 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.590
local terms energy: -43.394200
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -1.689
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: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -204.072317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.072317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.072317 (E_RNA)
where:
Base-Base interactions energy: -130.841
where: short stacking energy: -60.381
Base-Backbone interact. energy: -0.047
local terms energy: -73.184227
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -17.368
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: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -197.354293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.354293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.354293 (E_RNA)
where:
Base-Base interactions energy: -119.426
where: short stacking energy: -67.001
Base-Backbone interact. energy: -1.959
local terms energy: -75.970269
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -10.972
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: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -179.174231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.174231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.174231 (E_RNA)
where:
Base-Base interactions energy: -110.689
where: short stacking energy: -64.423
Base-Backbone interact. energy: -0.093
local terms energy: -68.392350
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -173.121403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.121403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.121403 (E_RNA)
where:
Base-Base interactions energy: -107.163
where: short stacking energy: -59.161
Base-Backbone interact. energy: -0.045
local terms energy: -65.913693
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -164.747197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.747197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.747197 (E_RNA)
where:
Base-Base interactions energy: -105.718
where: short stacking energy: -42.369
Base-Backbone interact. energy: -0.836
local terms energy: -58.193520
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -10.684
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: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -145.777307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.777307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.777307 (E_RNA)
where:
Base-Base interactions energy: -95.757
where: short stacking energy: -56.637
Base-Backbone interact. energy: -1.331
local terms energy: -48.689245
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -8.440
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: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -98.398775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.398775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.398775 (E_RNA)
where:
Base-Base interactions energy: -45.568
where: short stacking energy: -35.511
Base-Backbone interact. energy: -0.457
local terms energy: -52.373713
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -97.307400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.307400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.307400 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -24.459
Base-Backbone interact. energy: -1.047
local terms energy: -58.208943
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -8.738
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: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -79.558721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.558721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.558721 (E_RNA)
where:
Base-Base interactions energy: -30.088
where: short stacking energy: -30.088
Base-Backbone interact. energy: 0.182
local terms energy: -49.652738
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -88.287479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.287479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.287479 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.474
local terms energy: -52.539085
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -209.791387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.791387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.791387 (E_RNA)
where:
Base-Base interactions energy: -133.866
where: short stacking energy: -62.944
Base-Backbone interact. energy: -0.335
local terms energy: -75.589882
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -18.744
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: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -194.849315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.849315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.849315 (E_RNA)
where:
Base-Base interactions energy: -121.344
where: short stacking energy: -66.804
Base-Backbone interact. energy: -0.753
local terms energy: -72.752311
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.665
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: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -199.172066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.172066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.172066 (E_RNA)
where:
Base-Base interactions energy: -123.312
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.244
local terms energy: -75.616760
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -19.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -171.409752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.409752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.409752 (E_RNA)
where:
Base-Base interactions energy: -103.432
where: short stacking energy: -53.627
Base-Backbone interact. energy: -0.103
local terms energy: -67.874800
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -161.732538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.732538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.732538 (E_RNA)
where:
Base-Base interactions energy: -98.670
where: short stacking energy: -49.242
Base-Backbone interact. energy: -0.913
local terms energy: -62.149935
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -149.842397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.842397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.842397 (E_RNA)
where:
Base-Base interactions energy: -89.691
where: short stacking energy: -43.283
Base-Backbone interact. energy: -0.236
local terms energy: -59.915071
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -10.252
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: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -90.361106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.361106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.361106 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -24.025
Base-Backbone interact. energy: -0.799
local terms energy: -51.760026
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -83.293312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293312 (E_RNA)
where:
Base-Base interactions energy: -29.050
where: short stacking energy: -22.713
Base-Backbone interact. energy: 0.037
local terms energy: -54.280550
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -79.147640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.147640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.147640 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -24.167
Base-Backbone interact. energy: -0.162
local terms energy: -43.251013
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -1.972
tors. eta vs tors. theta energy: -2.488
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: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -128.400816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.400816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.400816 (E_RNA)
where:
Base-Base interactions energy: -70.881
where: short stacking energy: -36.475
Base-Backbone interact. energy: -0.132
local terms energy: -57.387662
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -207.594919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.594919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.594919 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.169
local terms energy: -79.510510
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -18.410
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: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -192.661978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.661978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.661978 (E_RNA)
where:
Base-Base interactions energy: -115.573
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.006
local terms energy: -77.082879
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -189.055673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.055673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.055673 (E_RNA)
where:
Base-Base interactions energy: -112.730
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.674
local terms energy: -75.652257
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -10.592
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: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -176.561471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.561471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.561471 (E_RNA)
where:
Base-Base interactions energy: -107.510
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.282
local terms energy: -68.769778
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -161.840979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.840979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.840979 (E_RNA)
where:
Base-Base interactions energy: -101.325
where: short stacking energy: -55.220
Base-Backbone interact. energy: -0.068
local terms energy: -60.447902
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -160.587471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.587471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.587471 (E_RNA)
where:
Base-Base interactions energy: -94.651
where: short stacking energy: -47.402
Base-Backbone interact. energy: -0.119
local terms energy: -65.818079
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -13.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -97.155505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.155505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.155505 (E_RNA)
where:
Base-Base interactions energy: -43.770
where: short stacking energy: -34.128
Base-Backbone interact. energy: 0.063
local terms energy: -53.449074
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -3.965
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -81.087438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087438 (E_RNA)
where:
Base-Base interactions energy: -34.616
where: short stacking energy: -33.634
Base-Backbone interact. energy: -0.371
local terms energy: -46.100146
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -1.993
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -109.511772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.511772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.511772 (E_RNA)
where:
Base-Base interactions energy: -59.954
where: short stacking energy: -29.681
Base-Backbone interact. energy: -0.266
local terms energy: -49.292283
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -100.814352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.814352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.814352 (E_RNA)
where:
Base-Base interactions energy: -48.613
where: short stacking energy: -43.535
Base-Backbone interact. energy: -0.247
local terms energy: -51.954292
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -213.799334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.799334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.799334 (E_RNA)
where:
Base-Base interactions energy: -140.179
where: short stacking energy: -70.179
Base-Backbone interact. energy: -0.099
local terms energy: -73.520868
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -196.583099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.583099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.583099 (E_RNA)
where:
Base-Base interactions energy: -127.433
where: short stacking energy: -60.918
Base-Backbone interact. energy: 0.165
local terms energy: -69.315096
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -177.723028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.723028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.723028 (E_RNA)
where:
Base-Base interactions energy: -114.172
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.108
local terms energy: -63.443288
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -175.389979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.389979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.389979 (E_RNA)
where:
Base-Base interactions energy: -113.533
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.364
local terms energy: -61.492370
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -149.078732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.078732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.078732 (E_RNA)
where:
Base-Base interactions energy: -86.614
where: short stacking energy: -37.359
Base-Backbone interact. energy: -0.088
local terms energy: -62.376232
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -133.271304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.271304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.271304 (E_RNA)
where:
Base-Base interactions energy: -77.197
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.032
local terms energy: -56.042740
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -4.947
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: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -88.875451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.875451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.875451 (E_RNA)
where:
Base-Base interactions energy: -43.834
where: short stacking energy: -35.818
Base-Backbone interact. energy: -0.049
local terms energy: -44.992625
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -0.499
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: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -99.982150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.982150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.982150 (E_RNA)
where:
Base-Base interactions energy: -49.687
where: short stacking energy: -37.393
Base-Backbone interact. energy: -0.189
local terms energy: -50.105921
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -8.819
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -86.969115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.969115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.969115 (E_RNA)
where:
Base-Base interactions energy: -44.154
where: short stacking energy: -32.116
Base-Backbone interact. energy: -0.125
local terms energy: -42.690520
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -6.389
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: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -82.680422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.680422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.680422 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -36.810
Base-Backbone interact. energy: -0.028
local terms energy: -42.764604
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -213.516207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.516207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.516207 (E_RNA)
where:
Base-Base interactions energy: -135.784
where: short stacking energy: -67.560
Base-Backbone interact. energy: 0.334
local terms energy: -78.066056
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -21.206
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: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -193.992942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.992942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.992942 (E_RNA)
where:
Base-Base interactions energy: -122.719
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.246
local terms energy: -71.027525
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -180.732327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.732327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.732327 (E_RNA)
where:
Base-Base interactions energy: -105.768
where: short stacking energy: -60.760
Base-Backbone interact. energy: -0.037
local terms energy: -74.927582
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.721
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: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -167.312090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.312090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.312090 (E_RNA)
where:
Base-Base interactions energy: -99.209
where: short stacking energy: -53.248
Base-Backbone interact. energy: -0.134
local terms energy: -67.968264
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -136.052227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.052227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.052227 (E_RNA)
where:
Base-Base interactions energy: -80.343
where: short stacking energy: -53.954
Base-Backbone interact. energy: -0.269
local terms energy: -55.439727
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -94.410969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.410969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.410969 (E_RNA)
where:
Base-Base interactions energy: -39.326
where: short stacking energy: -24.076
Base-Backbone interact. energy: -0.249
local terms energy: -54.835817
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -105.118190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.118190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.118190 (E_RNA)
where:
Base-Base interactions energy: -49.205
where: short stacking energy: -36.916
Base-Backbone interact. energy: -0.104
local terms energy: -55.809103
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -90.949212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.949212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.949212 (E_RNA)
where:
Base-Base interactions energy: -34.147
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.005
local terms energy: -56.796647
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -7.271
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: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -78.605548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.605548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.605548 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -29.673
Base-Backbone interact. energy: -0.413
local terms energy: -46.516480
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -0.591
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -71.251519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.251519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.251519 (E_RNA)
where:
Base-Base interactions energy: -23.149
where: short stacking energy: -22.941
Base-Backbone interact. energy: -1.173
local terms energy: -46.929283
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -0.111
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: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -219.826869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.826869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.826869 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -68.152
Base-Backbone interact. energy: -0.318
local terms energy: -79.199105
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -180.878119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.878119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.878119 (E_RNA)
where:
Base-Base interactions energy: -105.758
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.319
local terms energy: -74.801443
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -185.065112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.065112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.065112 (E_RNA)
where:
Base-Base interactions energy: -125.881
where: short stacking energy: -64.514
Base-Backbone interact. energy: -0.351
local terms energy: -58.833446
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -14.860
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: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -162.620490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.620490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.620490 (E_RNA)
where:
Base-Base interactions energy: -92.316
where: short stacking energy: -53.704
Base-Backbone interact. energy: -0.189
local terms energy: -70.114664
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -166.995621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.995621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.995621 (E_RNA)
where:
Base-Base interactions energy: -102.944
where: short stacking energy: -57.919
Base-Backbone interact. energy: -0.146
local terms energy: -63.905689
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -9.153
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -14.733
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: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -92.449170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.449170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.449170 (E_RNA)
where:
Base-Base interactions energy: -35.657
where: short stacking energy: -35.657
Base-Backbone interact. energy: -0.105
local terms energy: -56.687110
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -106.462443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.462443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.462443 (E_RNA)
where:
Base-Base interactions energy: -50.203
where: short stacking energy: -35.882
Base-Backbone interact. energy: -0.322
local terms energy: -55.937719
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -83.586783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.586783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.586783 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -21.040
Base-Backbone interact. energy: -0.314
local terms energy: -52.610323
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -103.926807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.926807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.926807 (E_RNA)
where:
Base-Base interactions energy: -49.814
where: short stacking energy: -23.497
Base-Backbone interact. energy: -0.187
local terms energy: -53.925888
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -81.790712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.790712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.790712 (E_RNA)
where:
Base-Base interactions energy: -28.501
where: short stacking energy: -25.824
Base-Backbone interact. energy: -0.065
local terms energy: -53.225431
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -216.786743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.786743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.786743 (E_RNA)
where:
Base-Base interactions energy: -140.678
where: short stacking energy: -76.530
Base-Backbone interact. energy: -0.234
local terms energy: -75.874335
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -195.537513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.537513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.537513 (E_RNA)
where:
Base-Base interactions energy: -121.008
where: short stacking energy: -70.353
Base-Backbone interact. energy: -0.557
local terms energy: -73.972798
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -170.325367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.325367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.325367 (E_RNA)
where:
Base-Base interactions energy: -107.095
where: short stacking energy: -50.363
Base-Backbone interact. energy: -0.859
local terms energy: -62.371782
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -159.125896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.125896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.125896 (E_RNA)
where:
Base-Base interactions energy: -90.690
where: short stacking energy: -50.233
Base-Backbone interact. energy: -0.121
local terms energy: -68.314043
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -14.461
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: 40
Temperature: 1.100000
Total energy: -170.816767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.816767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.816767 (E_RNA)
where:
Base-Base interactions energy: -107.983
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.495
local terms energy: -62.339544
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -16.803
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: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -112.759113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.759113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.759113 (E_RNA)
where:
Base-Base interactions energy: -50.159
where: short stacking energy: -50.159
Base-Backbone interact. energy: 0.992
local terms energy: -63.591425
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -83.646522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.646522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.646522 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.221
local terms energy: -49.175205
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -84.545004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.545004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.545004 (E_RNA)
where:
Base-Base interactions energy: -28.803
where: short stacking energy: -28.803
Base-Backbone interact. energy: -0.136
local terms energy: -55.605532
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -83.262356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.262356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.262356 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -30.290
Base-Backbone interact. energy: -1.796
local terms energy: -50.909857
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -95.832465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.832465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.832465 (E_RNA)
where:
Base-Base interactions energy: -45.175
where: short stacking energy: -25.409
Base-Backbone interact. energy: -0.331
local terms energy: -50.326740
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: 0.107
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: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -214.921996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.921996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.921996 (E_RNA)
where:
Base-Base interactions energy: -136.912
where: short stacking energy: -64.338
Base-Backbone interact. energy: -0.206
local terms energy: -77.804107
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -12.668
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: 41
Temperature: 0.950000
Total energy: -185.596682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.596682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.596682 (E_RNA)
where:
Base-Base interactions energy: -117.281
where: short stacking energy: -55.958
Base-Backbone interact. energy: -0.929
local terms energy: -67.386767
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -13.404
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: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -195.367988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.367988 (E_RNA)
where:
Base-Base interactions energy: -121.818
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.004
local terms energy: -73.545687
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -176.286754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.286754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.286754 (E_RNA)
where:
Base-Base interactions energy: -111.426
where: short stacking energy: -68.316
Base-Backbone interact. energy: -0.017
local terms energy: -64.844150
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -164.004921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.004921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.004921 (E_RNA)
where:
Base-Base interactions energy: -106.517
where: short stacking energy: -58.151
Base-Backbone interact. energy: -0.001
local terms energy: -57.487306
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -13.317
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: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -105.358419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.358419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.358419 (E_RNA)
where:
Base-Base interactions energy: -51.446
where: short stacking energy: -50.242
Base-Backbone interact. energy: -0.036
local terms energy: -53.876788
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -6.710
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: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -95.519461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.519461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.519461 (E_RNA)
where:
Base-Base interactions energy: -39.208
where: short stacking energy: -35.979
Base-Backbone interact. energy: -0.152
local terms energy: -56.159287
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -7.034
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: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -91.624738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.624738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.624738 (E_RNA)
where:
Base-Base interactions energy: -47.824
where: short stacking energy: -21.252
Base-Backbone interact. energy: -0.421
local terms energy: -43.379503
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: 0.193
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: 41
Temperature: 1.300000
Total energy: -93.106305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.106305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.106305 (E_RNA)
where:
Base-Base interactions energy: -36.496
where: short stacking energy: -28.696
Base-Backbone interact. energy: 0.399
local terms energy: -57.009213
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -70.171619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.171619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.171619 (E_RNA)
where:
Base-Base interactions energy: -24.149
where: short stacking energy: -21.429
Base-Backbone interact. energy: 0.677
local terms energy: -46.698943
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -10.631
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: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -211.513006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.513006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.513006 (E_RNA)
where:
Base-Base interactions energy: -143.515
where: short stacking energy: -67.273
Base-Backbone interact. energy: -0.026
local terms energy: -67.971729
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -190.893902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.893902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.893902 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.004
local terms energy: -68.860985
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -167.231160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.231160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.231160 (E_RNA)
where:
Base-Base interactions energy: -96.189
where: short stacking energy: -61.336
Base-Backbone interact. energy: -1.666
local terms energy: -69.376640
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -182.646694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.646694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.646694 (E_RNA)
where:
Base-Base interactions energy: -114.900
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.437
local terms energy: -67.309770
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -162.025032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.025032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.025032 (E_RNA)
where:
Base-Base interactions energy: -102.245
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.270
local terms energy: -59.509728
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -123.766542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.766542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.766542 (E_RNA)
where:
Base-Base interactions energy: -61.241
where: short stacking energy: -38.881
Base-Backbone interact. energy: -0.246
local terms energy: -62.279549
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -92.955398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.955398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.955398 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -24.107
Base-Backbone interact. energy: -0.215
local terms energy: -55.250379
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -82.950671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.950671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.950671 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -30.732
Base-Backbone interact. energy: -0.033
local terms energy: -51.762355
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -2.064
tors. eta vs tors. theta energy: -8.313
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -78.377569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.377569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.377569 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -27.965
Base-Backbone interact. energy: -0.512
local terms energy: -45.036505
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -84.107813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.107813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.107813 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -36.338
Base-Backbone interact. energy: -0.157
local terms energy: -47.612173
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -1.562
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -215.704354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.704354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.704354 (E_RNA)
where:
Base-Base interactions energy: -134.185
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.412
local terms energy: -81.107638
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -194.324133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.324133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.324133 (E_RNA)
where:
Base-Base interactions energy: -117.962
where: short stacking energy: -64.160
Base-Backbone interact. energy: -1.435
local terms energy: -74.926839
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -158.848123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.848123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.848123 (E_RNA)
where:
Base-Base interactions energy: -98.847
where: short stacking energy: -49.821
Base-Backbone interact. energy: 1.470
local terms energy: -61.470977
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -13.436
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: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -177.678998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.678998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.678998 (E_RNA)
where:
Base-Base interactions energy: -108.361
where: short stacking energy: -63.615
Base-Backbone interact. energy: -0.101
local terms energy: -69.217058
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.157
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: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -145.234232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.234232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.234232 (E_RNA)
where:
Base-Base interactions energy: -86.756
where: short stacking energy: -45.289
Base-Backbone interact. energy: 0.794
local terms energy: -59.272176
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -17.175
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: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -103.733984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.733984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.733984 (E_RNA)
where:
Base-Base interactions energy: -46.459
where: short stacking energy: -44.796
Base-Backbone interact. energy: 0.329
local terms energy: -57.603819
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -87.535179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.535179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.535179 (E_RNA)
where:
Base-Base interactions energy: -34.017
where: short stacking energy: -34.017
Base-Backbone interact. energy: 0.496
local terms energy: -54.014008
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -85.503676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.503676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.503676 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -19.384
Base-Backbone interact. energy: -0.168
local terms energy: -52.657044
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -90.954655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.954655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.954655 (E_RNA)
where:
Base-Base interactions energy: -41.695
where: short stacking energy: -40.564
Base-Backbone interact. energy: 0.171
local terms energy: -49.431108
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -5.217
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: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -82.523308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.523308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.523308 (E_RNA)
where:
Base-Base interactions energy: -33.323
where: short stacking energy: -33.284
Base-Backbone interact. energy: -0.247
local terms energy: -48.953320
where:
bonds (distance) C4'-P energy: -4.390
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -214.425827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.425827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.425827 (E_RNA)
where:
Base-Base interactions energy: -132.166
where: short stacking energy: -72.232
Base-Backbone interact. energy: -0.009
local terms energy: -82.250432
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -199.279661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.279661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.279661 (E_RNA)
where:
Base-Base interactions energy: -124.483
where: short stacking energy: -70.483
Base-Backbone interact. energy: -0.041
local terms energy: -74.755751
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -168.247360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.247360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.247360 (E_RNA)
where:
Base-Base interactions energy: -99.767
where: short stacking energy: -55.940
Base-Backbone interact. energy: -0.430
local terms energy: -68.050337
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -13.508
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: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -167.626062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.626062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.626062 (E_RNA)
where:
Base-Base interactions energy: -109.088
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.436
local terms energy: -58.102097
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -8.403
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: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -154.114418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.114418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.114418 (E_RNA)
where:
Base-Base interactions energy: -88.908
where: short stacking energy: -55.004
Base-Backbone interact. energy: -0.202
local terms energy: -65.003960
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -102.625951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.625951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.625951 (E_RNA)
where:
Base-Base interactions energy: -40.398
where: short stacking energy: -40.060
Base-Backbone interact. energy: -0.495
local terms energy: -61.733335
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -88.204448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.204448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.204448 (E_RNA)
where:
Base-Base interactions energy: -35.940
where: short stacking energy: -30.513
Base-Backbone interact. energy: -0.387
local terms energy: -51.877176
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -97.836738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.836738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.836738 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -40.086
Base-Backbone interact. energy: 0.143
local terms energy: -57.893119
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -85.992308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.992308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.992308 (E_RNA)
where:
Base-Base interactions energy: -34.681
where: short stacking energy: -31.143
Base-Backbone interact. energy: -0.003
local terms energy: -51.307995
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -78.373139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.373139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.373139 (E_RNA)
where:
Base-Base interactions energy: -28.705
where: short stacking energy: -26.064
Base-Backbone interact. energy: 3.120
local terms energy: -52.788737
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -216.415583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.415583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.415583 (E_RNA)
where:
Base-Base interactions energy: -139.234
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.280
local terms energy: -76.901358
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -200.887141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.887141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.887141 (E_RNA)
where:
Base-Base interactions energy: -128.460
where: short stacking energy: -69.744
Base-Backbone interact. energy: -2.243
local terms energy: -70.184415
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -178.857385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.857385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.857385 (E_RNA)
where:
Base-Base interactions energy: -103.824
where: short stacking energy: -58.473
Base-Backbone interact. energy: -0.137
local terms energy: -74.896202
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -166.369416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.369416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.369416 (E_RNA)
where:
Base-Base interactions energy: -97.594
where: short stacking energy: -57.291
Base-Backbone interact. energy: -2.014
local terms energy: -66.761165
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -174.220089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.220089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.220089 (E_RNA)
where:
Base-Base interactions energy: -106.237
where: short stacking energy: -51.059
Base-Backbone interact. energy: -0.303
local terms energy: -67.679828
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -98.924401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.924401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.924401 (E_RNA)
where:
Base-Base interactions energy: -41.737
where: short stacking energy: -41.737
Base-Backbone interact. energy: -0.190
local terms energy: -56.997256
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -99.984302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.984302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.984302 (E_RNA)
where:
Base-Base interactions energy: -46.661
where: short stacking energy: -42.841
Base-Backbone interact. energy: -0.015
local terms energy: -53.308649
where:
bonds (distance) C4'-P energy: -7.143
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -5.494
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: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -89.789366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789366 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -28.645
Base-Backbone interact. energy: -0.552
local terms energy: -52.776809
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -2.375
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: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -86.958781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.958781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.958781 (E_RNA)
where:
Base-Base interactions energy: -33.591
where: short stacking energy: -33.591
Base-Backbone interact. energy: -0.609
local terms energy: -52.759174
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -77.517945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.517945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.517945 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -32.799
Base-Backbone interact. energy: -0.091
local terms energy: -43.958407
where:
bonds (distance) C4'-P energy: -5.897
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -214.986677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.986677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.986677 (E_RNA)
where:
Base-Base interactions energy: -138.324
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.662
local terms energy: -76.001072
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -11.677
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: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -200.030401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.030401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.030401 (E_RNA)
where:
Base-Base interactions energy: -122.477
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.617
local terms energy: -76.936406
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -14.973
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: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -187.702026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.702026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.702026 (E_RNA)
where:
Base-Base interactions energy: -115.080
where: short stacking energy: -65.759
Base-Backbone interact. energy: -1.678
local terms energy: -70.943956
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -16.578
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: 46
Temperature: 1.050000
Total energy: -163.279919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.279919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.279919 (E_RNA)
where:
Base-Base interactions energy: -94.108
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.593
local terms energy: -68.579264
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -12.527
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: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -174.114712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.114712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.114712 (E_RNA)
where:
Base-Base interactions energy: -112.137
where: short stacking energy: -48.201
Base-Backbone interact. energy: -0.173
local terms energy: -61.804976
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -103.923814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.923814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.923814 (E_RNA)
where:
Base-Base interactions energy: -47.173
where: short stacking energy: -38.474
Base-Backbone interact. energy: 0.131
local terms energy: -56.881244
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -79.835929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.835929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.835929 (E_RNA)
where:
Base-Base interactions energy: -33.214
where: short stacking energy: -24.911
Base-Backbone interact. energy: -0.289
local terms energy: -46.333194
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -2.303
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: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -78.724199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.724199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.724199 (E_RNA)
where:
Base-Base interactions energy: -32.244
where: short stacking energy: -21.689
Base-Backbone interact. energy: -0.808
local terms energy: -45.671852
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: 6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -97.834820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.834820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.834820 (E_RNA)
where:
Base-Base interactions energy: -45.005
where: short stacking energy: -39.748
Base-Backbone interact. energy: -0.476
local terms energy: -52.354005
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -85.281739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.281739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.281739 (E_RNA)
where:
Base-Base interactions energy: -28.071
where: short stacking energy: -27.584
Base-Backbone interact. energy: -0.099
local terms energy: -57.111333
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -7.118
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: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -220.432136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.432136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.432136 (E_RNA)
where:
Base-Base interactions energy: -139.293
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.641
local terms energy: -80.497776
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -197.927341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.927341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.927341 (E_RNA)
where:
Base-Base interactions energy: -130.080
where: short stacking energy: -71.543
Base-Backbone interact. energy: -0.436
local terms energy: -67.411561
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -188.918420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.918420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.918420 (E_RNA)
where:
Base-Base interactions energy: -113.082
where: short stacking energy: -65.492
Base-Backbone interact. energy: -0.207
local terms energy: -75.629571
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -159.135815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.135815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.135815 (E_RNA)
where:
Base-Base interactions energy: -95.733
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.098
local terms energy: -63.304672
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -158.507217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.507217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.507217 (E_RNA)
where:
Base-Base interactions energy: -98.075
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.881
local terms energy: -59.550841
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -12.432
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: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -97.544634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.544634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.544634 (E_RNA)
where:
Base-Base interactions energy: -41.795
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.316
local terms energy: -55.433443
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -2.687
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: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -100.114129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.114129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.114129 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -33.505
Base-Backbone interact. energy: -0.053
local terms energy: -63.415900
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -89.085286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.085286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.085286 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -26.681
Base-Backbone interact. energy: -0.967
local terms energy: -53.525372
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -90.408250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.408250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.408250 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -35.604
Base-Backbone interact. energy: 0.264
local terms energy: -52.090586
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -4.401
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: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -87.661428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.661428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.661428 (E_RNA)
where:
Base-Base interactions energy: -30.746
where: short stacking energy: -28.732
Base-Backbone interact. energy: -0.014
local terms energy: -56.900892
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -204.193367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.193367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.193367 (E_RNA)
where:
Base-Base interactions energy: -123.627
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.911
local terms energy: -79.655076
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -209.597321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.597321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.597321 (E_RNA)
where:
Base-Base interactions energy: -138.878
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.001
local terms energy: -70.718565
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -11.326
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: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -186.333301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.333301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.333301 (E_RNA)
where:
Base-Base interactions energy: -114.956
where: short stacking energy: -61.378
Base-Backbone interact. energy: -0.082
local terms energy: -71.295793
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -9.333
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: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -159.934500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.934500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.934500 (E_RNA)
where:
Base-Base interactions energy: -91.527
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.000
local terms energy: -68.406741
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -185.910730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.910730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.910730 (E_RNA)
where:
Base-Base interactions energy: -113.875
where: short stacking energy: -58.343
Base-Backbone interact. energy: -0.007
local terms energy: -72.028491
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -14.033
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -91.057641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.057641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.057641 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -31.183
Base-Backbone interact. energy: -0.318
local terms energy: -58.492965
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -96.463488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.463488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.463488 (E_RNA)
where:
Base-Base interactions energy: -36.776
where: short stacking energy: -26.816
Base-Backbone interact. energy: -0.167
local terms energy: -59.520662
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -5.000
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: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -88.542010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.542010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.542010 (E_RNA)
where:
Base-Base interactions energy: -33.869
where: short stacking energy: -29.537
Base-Backbone interact. energy: -0.828
local terms energy: -53.845557
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -86.092162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092162 (E_RNA)
where:
Base-Base interactions energy: -39.466
where: short stacking energy: -32.220
Base-Backbone interact. energy: -0.333
local terms energy: -46.293348
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -7.384
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -8.957
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: 48
Temperature: 1.350000
Total energy: -81.915371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.915371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.915371 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -21.920
Base-Backbone interact. energy: -0.405
local terms energy: -50.889143
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.516
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: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -208.298062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.298062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.298062 (E_RNA)
where:
Base-Base interactions energy: -127.998
where: short stacking energy: -69.516
Base-Backbone interact. energy: -0.006
local terms energy: -80.293378
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -9.288
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: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -210.439180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.439180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.439180 (E_RNA)
where:
Base-Base interactions energy: -131.385
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.001
local terms energy: -79.053356
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -184.857674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.857674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.857674 (E_RNA)
where:
Base-Base interactions energy: -112.485
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.114
local terms energy: -72.258705
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -196.825245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.825245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.825245 (E_RNA)
where:
Base-Base interactions energy: -122.570
where: short stacking energy: -66.429
Base-Backbone interact. energy: -1.821
local terms energy: -72.434349
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.786
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -163.632959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.632959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.632959 (E_RNA)
where:
Base-Base interactions energy: -94.536
where: short stacking energy: -50.126
Base-Backbone interact. energy: -0.100
local terms energy: -68.996998
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.204
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: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -95.923527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.923527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.923527 (E_RNA)
where:
Base-Base interactions energy: -40.984
where: short stacking energy: -35.376
Base-Backbone interact. energy: -0.023
local terms energy: -54.916136
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -115.353589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.353589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.353589 (E_RNA)
where:
Base-Base interactions energy: -67.026
where: short stacking energy: -33.449
Base-Backbone interact. energy: -0.296
local terms energy: -48.030809
where:
bonds (distance) C4'-P energy: -7.446
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -91.817695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.817695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.817695 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -31.219
Base-Backbone interact. energy: -0.044
local terms energy: -56.564342
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -90.244091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.244091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.244091 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -30.834
Base-Backbone interact. energy: -0.091
local terms energy: -56.207896
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -77.107168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.107168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.107168 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -34.116
Base-Backbone interact. energy: -0.109
local terms energy: -41.911372
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -200.476056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.476056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.476056 (E_RNA)
where:
Base-Base interactions energy: -125.145
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.111
local terms energy: -75.220701
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -18.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -211.309458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.309458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.309458 (E_RNA)
where:
Base-Base interactions energy: -129.717
where: short stacking energy: -70.170
Base-Backbone interact. energy: -0.211
local terms energy: -81.381734
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -195.732042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.732042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.732042 (E_RNA)
where:
Base-Base interactions energy: -123.292
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.742
local terms energy: -71.698042
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -17.499
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: 50
Temperature: 1.050000
Total energy: -164.865727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.865727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.865727 (E_RNA)
where:
Base-Base interactions energy: -103.932
where: short stacking energy: -53.135
Base-Backbone interact. energy: -0.138
local terms energy: -60.796521
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -190.363412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.363412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.363412 (E_RNA)
where:
Base-Base interactions energy: -112.838
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.000
local terms energy: -77.524847
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -8.749
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: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -103.603388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.603388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.603388 (E_RNA)
where:
Base-Base interactions energy: -39.205
where: short stacking energy: -39.205
Base-Backbone interact. energy: -0.079
local terms energy: -64.319459
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -86.281661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.281661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.281661 (E_RNA)
where:
Base-Base interactions energy: -34.375
where: short stacking energy: -34.375
Base-Backbone interact. energy: -0.072
local terms energy: -51.834250
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -7.830
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: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -87.086732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.086732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.086732 (E_RNA)
where:
Base-Base interactions energy: -38.405
where: short stacking energy: -25.873
Base-Backbone interact. energy: -0.242
local terms energy: -48.439511
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -80.656166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.656166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.656166 (E_RNA)
where:
Base-Base interactions energy: -26.202
where: short stacking energy: -20.591
Base-Backbone interact. energy: -0.114
local terms energy: -54.339771
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -79.111903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111903 (E_RNA)
where:
Base-Base interactions energy: -30.881
where: short stacking energy: -30.064
Base-Backbone interact. energy: 1.661
local terms energy: -49.891966
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -207.189341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.189341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.189341 (E_RNA)
where:
Base-Base interactions energy: -126.149
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.349
local terms energy: -80.691182
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -194.134403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.134403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.134403 (E_RNA)
where:
Base-Base interactions energy: -119.511
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.025
local terms energy: -74.599142
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -198.763776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.763776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.763776 (E_RNA)
where:
Base-Base interactions energy: -124.095
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.322
local terms energy: -74.346742
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -182.182211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.182211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.182211 (E_RNA)
where:
Base-Base interactions energy: -109.700
where: short stacking energy: -59.648
Base-Backbone interact. energy: -0.314
local terms energy: -72.168555
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -157.216176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.216176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.216176 (E_RNA)
where:
Base-Base interactions energy: -99.932
where: short stacking energy: -50.362
Base-Backbone interact. energy: -0.176
local terms energy: -57.108684
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -99.849587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.849587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.849587 (E_RNA)
where:
Base-Base interactions energy: -57.543
where: short stacking energy: -29.238
Base-Backbone interact. energy: 0.545
local terms energy: -42.851242
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -102.664668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.664668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.664668 (E_RNA)
where:
Base-Base interactions energy: -41.783
where: short stacking energy: -34.004
Base-Backbone interact. energy: 0.696
local terms energy: -61.577090
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -9.060
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -84.683188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.683188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.683188 (E_RNA)
where:
Base-Base interactions energy: -30.614
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.837
local terms energy: -53.232526
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -81.652965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.652965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.652965 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -35.104
Base-Backbone interact. energy: -0.265
local terms energy: -42.318448
where:
bonds (distance) C4'-P energy: -7.164
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -75.017030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.017030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.017030 (E_RNA)
where:
Base-Base interactions energy: -29.686
where: short stacking energy: -28.513
Base-Backbone interact. energy: -0.029
local terms energy: -45.302708
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -4.043
tors. eta vs tors. theta energy: -2.484
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: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -214.582597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.582597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.582597 (E_RNA)
where:
Base-Base interactions energy: -137.863
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.315
local terms energy: -76.404528
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -190.400693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.400693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.400693 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -58.913
Base-Backbone interact. energy: -0.740
local terms energy: -71.901475
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -201.706083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.706083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.706083 (E_RNA)
where:
Base-Base interactions energy: -135.952
where: short stacking energy: -68.283
Base-Backbone interact. energy: 2.733
local terms energy: -68.486493
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -181.569272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.569272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.569272 (E_RNA)
where:
Base-Base interactions energy: -112.303
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.011
local terms energy: -69.254644
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -18.872
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: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -148.813923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.813923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.813923 (E_RNA)
where:
Base-Base interactions energy: -100.416
where: short stacking energy: -56.287
Base-Backbone interact. energy: -0.006
local terms energy: -48.392256
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -131.747685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.747685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.747685 (E_RNA)
where:
Base-Base interactions energy: -75.730
where: short stacking energy: -27.578
Base-Backbone interact. energy: -0.937
local terms energy: -55.081228
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -92.839121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.839121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.839121 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -33.764
Base-Backbone interact. energy: -0.413
local terms energy: -58.662270
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -11.217
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: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -80.979864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.979864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.979864 (E_RNA)
where:
Base-Base interactions energy: -30.321
where: short stacking energy: -27.589
Base-Backbone interact. energy: -0.468
local terms energy: -50.191016
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -5.047
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: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -75.874294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.874294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.874294 (E_RNA)
where:
Base-Base interactions energy: -31.113
where: short stacking energy: -14.843
Base-Backbone interact. energy: -0.240
local terms energy: -44.521372
where:
bonds (distance) C4'-P energy: -7.089
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -13.695
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: 52
Temperature: 1.350000
Total energy: -89.526708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.526708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.526708 (E_RNA)
where:
Base-Base interactions energy: -36.598
where: short stacking energy: -30.105
Base-Backbone interact. energy: 2.079
local terms energy: -55.007672
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -209.632139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.632139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.632139 (E_RNA)
where:
Base-Base interactions energy: -131.705
where: short stacking energy: -77.366
Base-Backbone interact. energy: -0.029
local terms energy: -77.898533
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -213.775152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.775152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.775152 (E_RNA)
where:
Base-Base interactions energy: -129.690
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.222
local terms energy: -83.863141
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -12.075
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: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -173.694969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.694969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.694969 (E_RNA)
where:
Base-Base interactions energy: -108.275
where: short stacking energy: -61.369
Base-Backbone interact. energy: 0.483
local terms energy: -65.902850
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -194.399038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.399038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.399038 (E_RNA)
where:
Base-Base interactions energy: -124.801
where: short stacking energy: -65.590
Base-Backbone interact. energy: -0.784
local terms energy: -68.813544
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -14.259
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: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -164.037045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.037045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.037045 (E_RNA)
where:
Base-Base interactions energy: -98.770
where: short stacking energy: -60.806
Base-Backbone interact. energy: 1.246
local terms energy: -66.513537
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -15.600
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: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -134.559557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.559557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.559557 (E_RNA)
where:
Base-Base interactions energy: -78.647
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.002
local terms energy: -55.911177
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -10.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -122.167395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.167395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.167395 (E_RNA)
where:
Base-Base interactions energy: -71.595
where: short stacking energy: -30.888
Base-Backbone interact. energy: -0.144
local terms energy: -50.428728
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -9.576
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: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -91.805788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.805788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.805788 (E_RNA)
where:
Base-Base interactions energy: -30.422
where: short stacking energy: -29.092
Base-Backbone interact. energy: 3.349
local terms energy: -64.733592
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -83.596034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.596034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.596034 (E_RNA)
where:
Base-Base interactions energy: -30.508
where: short stacking energy: -27.353
Base-Backbone interact. energy: -0.492
local terms energy: -52.596499
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -72.911545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.911545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.911545 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -27.154
Base-Backbone interact. energy: -0.206
local terms energy: -43.841538
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: 2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -210.412695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.412695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.412695 (E_RNA)
where:
Base-Base interactions energy: -135.042
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.009
local terms energy: -75.362224
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -8.941
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: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -198.227728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.227728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.227728 (E_RNA)
where:
Base-Base interactions energy: -125.488
where: short stacking energy: -71.747
Base-Backbone interact. energy: -0.002
local terms energy: -72.737825
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -191.889521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.889521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.889521 (E_RNA)
where:
Base-Base interactions energy: -126.618
where: short stacking energy: -57.150
Base-Backbone interact. energy: -1.356
local terms energy: -63.916039
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -9.027
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: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -169.839998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.839998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.839998 (E_RNA)
where:
Base-Base interactions energy: -97.437
where: short stacking energy: -51.333
Base-Backbone interact. energy: 1.169
local terms energy: -73.571672
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -17.082
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: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -147.085075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.085075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.085075 (E_RNA)
where:
Base-Base interactions energy: -91.991
where: short stacking energy: -49.498
Base-Backbone interact. energy: -0.155
local terms energy: -54.938331
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -132.969021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.969021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.969021 (E_RNA)
where:
Base-Base interactions energy: -76.570
where: short stacking energy: -45.771
Base-Backbone interact. energy: -0.305
local terms energy: -56.094334
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -5.568
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: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -123.981165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.981165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.981165 (E_RNA)
where:
Base-Base interactions energy: -72.381
where: short stacking energy: -38.406
Base-Backbone interact. energy: -0.199
local terms energy: -51.401330
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -86.860561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860561 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -25.915
Base-Backbone interact. energy: -0.066
local terms energy: -51.984459
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -4.035
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: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -96.381560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.381560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.381560 (E_RNA)
where:
Base-Base interactions energy: -38.813
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.546
local terms energy: -57.022767
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -79.409427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.409427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.409427 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -26.837
Base-Backbone interact. energy: 0.078
local terms energy: -50.879939
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -208.733886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.733886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.733886 (E_RNA)
where:
Base-Base interactions energy: -130.003
where: short stacking energy: -59.249
Base-Backbone interact. energy: -0.027
local terms energy: -78.703796
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -184.366868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.366868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.366868 (E_RNA)
where:
Base-Base interactions energy: -108.467
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.055
local terms energy: -75.845057
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -17.875
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: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -180.825726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.825726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.825726 (E_RNA)
where:
Base-Base interactions energy: -110.465
where: short stacking energy: -66.418
Base-Backbone interact. energy: -1.671
local terms energy: -68.689916
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -165.393628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.393628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.393628 (E_RNA)
where:
Base-Base interactions energy: -93.326
where: short stacking energy: -55.120
Base-Backbone interact. energy: 2.515
local terms energy: -74.582627
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -171.780648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.780648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.780648 (E_RNA)
where:
Base-Base interactions energy: -111.663
where: short stacking energy: -59.365
Base-Backbone interact. energy: -0.052
local terms energy: -60.065762
where:
bonds (distance) C4'-P energy: -6.878
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -7.951
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: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -128.627513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.627513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.627513 (E_RNA)
where:
Base-Base interactions energy: -69.104
where: short stacking energy: -41.919
Base-Backbone interact. energy: 0.551
local terms energy: -60.074455
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -5.620
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: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -103.893530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.893530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.893530 (E_RNA)
where:
Base-Base interactions energy: -56.797
where: short stacking energy: -41.626
Base-Backbone interact. energy: -1.828
local terms energy: -45.269021
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -1.755
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: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -91.791489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.791489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.791489 (E_RNA)
where:
Base-Base interactions energy: -44.044
where: short stacking energy: -41.897
Base-Backbone interact. energy: 0.505
local terms energy: -48.252796
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -83.325507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.325507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.325507 (E_RNA)
where:
Base-Base interactions energy: -25.942
where: short stacking energy: -26.641
Base-Backbone interact. energy: 0.552
local terms energy: -57.936275
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -74.974163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.974163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.974163 (E_RNA)
where:
Base-Base interactions energy: -19.329
where: short stacking energy: -18.211
Base-Backbone interact. energy: 0.891
local terms energy: -56.536468
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: 0.277
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: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -212.877724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.877724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.877724 (E_RNA)
where:
Base-Base interactions energy: -136.063
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.589
local terms energy: -76.225145
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -185.432400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.432400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.432400 (E_RNA)
where:
Base-Base interactions energy: -106.889
where: short stacking energy: -66.333
Base-Backbone interact. energy: -0.000
local terms energy: -78.542917
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -193.609202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.609202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.609202 (E_RNA)
where:
Base-Base interactions energy: -120.540
where: short stacking energy: -68.296
Base-Backbone interact. energy: -0.017
local terms energy: -73.052105
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -149.887299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.887299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.887299 (E_RNA)
where:
Base-Base interactions energy: -86.415
where: short stacking energy: -48.074
Base-Backbone interact. energy: -0.282
local terms energy: -63.189419
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -168.898967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.898967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.898967 (E_RNA)
where:
Base-Base interactions energy: -99.769
where: short stacking energy: -57.467
Base-Backbone interact. energy: -0.010
local terms energy: -69.119273
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -173.712064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.712064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.712064 (E_RNA)
where:
Base-Base interactions energy: -103.795
where: short stacking energy: -59.124
Base-Backbone interact. energy: -0.078
local terms energy: -69.839441
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -14.182
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: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -94.162860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.162860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.162860 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -34.580
Base-Backbone interact. energy: -0.053
local terms energy: -55.971253
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -9.688
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: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -85.209107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.209107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.209107 (E_RNA)
where:
Base-Base interactions energy: -37.579
where: short stacking energy: -22.927
Base-Backbone interact. energy: -0.397
local terms energy: -47.232899
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -91.139656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.139656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.139656 (E_RNA)
where:
Base-Base interactions energy: -38.917
where: short stacking energy: -38.917
Base-Backbone interact. energy: -0.071
local terms energy: -52.151282
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -8.764
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: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -84.534841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.534841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.534841 (E_RNA)
where:
Base-Base interactions energy: -24.836
where: short stacking energy: -24.836
Base-Backbone interact. energy: -0.002
local terms energy: -59.697184
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -2.656
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -214.007540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.007540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.007540 (E_RNA)
where:
Base-Base interactions energy: -140.056
where: short stacking energy: -69.576
Base-Backbone interact. energy: -0.016
local terms energy: -73.935197
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -171.912705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.912705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.912705 (E_RNA)
where:
Base-Base interactions energy: -103.006
where: short stacking energy: -59.130
Base-Backbone interact. energy: -2.643
local terms energy: -66.263909
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -14.562
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: 57
Temperature: 1.000000
Total energy: -181.030525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.030525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.030525 (E_RNA)
where:
Base-Base interactions energy: -111.194
where: short stacking energy: -56.267
Base-Backbone interact. energy: -0.318
local terms energy: -69.519212
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -151.275436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.275436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.275436 (E_RNA)
where:
Base-Base interactions energy: -86.050
where: short stacking energy: -43.121
Base-Backbone interact. energy: 0.634
local terms energy: -65.860255
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -8.575
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: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -155.856973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.856973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.856973 (E_RNA)
where:
Base-Base interactions energy: -87.547
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.122
local terms energy: -68.187316
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -13.968
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: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -126.042680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.042680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.042680 (E_RNA)
where:
Base-Base interactions energy: -71.804
where: short stacking energy: -34.247
Base-Backbone interact. energy: -0.826
local terms energy: -53.412251
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: 0.162
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: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -101.930304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.930304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.930304 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -42.933
Base-Backbone interact. energy: -0.001
local terms energy: -58.996608
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -96.311633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.311633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.311633 (E_RNA)
where:
Base-Base interactions energy: -49.786
where: short stacking energy: -32.278
Base-Backbone interact. energy: -0.198
local terms energy: -46.327404
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -8.904
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -1.044
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: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -85.235636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.235636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.235636 (E_RNA)
where:
Base-Base interactions energy: -40.655
where: short stacking energy: -36.957
Base-Backbone interact. energy: 0.078
local terms energy: -44.658382
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -6.309
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: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -76.544142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.544142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.544142 (E_RNA)
where:
Base-Base interactions energy: -26.476
where: short stacking energy: -25.240
Base-Backbone interact. energy: -0.121
local terms energy: -49.947456
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -3.617
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: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -215.679981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.679981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.679981 (E_RNA)
where:
Base-Base interactions energy: -142.383
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.049
local terms energy: -73.247599
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -9.199
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: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -175.008118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.008118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.008118 (E_RNA)
where:
Base-Base interactions energy: -107.209
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.009
local terms energy: -67.790285
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -12.369
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: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -182.646123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.646123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.646123 (E_RNA)
where:
Base-Base interactions energy: -108.185
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.646
local terms energy: -73.814672
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -165.216751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.216751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.216751 (E_RNA)
where:
Base-Base interactions energy: -98.218
where: short stacking energy: -57.132
Base-Backbone interact. energy: -0.039
local terms energy: -66.960057
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -14.829
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: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -166.502899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.502899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.502899 (E_RNA)
where:
Base-Base interactions energy: -105.190
where: short stacking energy: -47.251
Base-Backbone interact. energy: 1.257
local terms energy: -62.570779
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -9.005
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: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -137.800222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.800222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.800222 (E_RNA)
where:
Base-Base interactions energy: -82.916
where: short stacking energy: -37.260
Base-Backbone interact. energy: -1.601
local terms energy: -53.282444
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -5.342
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: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -101.893634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.893634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.893634 (E_RNA)
where:
Base-Base interactions energy: -44.909
where: short stacking energy: -40.319
Base-Backbone interact. energy: 0.226
local terms energy: -57.210177
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -8.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -102.222545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.222545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.222545 (E_RNA)
where:
Base-Base interactions energy: -49.634
where: short stacking energy: -47.970
Base-Backbone interact. energy: -0.001
local terms energy: -52.587267
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -90.552245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.552245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.552245 (E_RNA)
where:
Base-Base interactions energy: -43.611
where: short stacking energy: -31.669
Base-Backbone interact. energy: 0.920
local terms energy: -47.860951
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -93.302196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302196 (E_RNA)
where:
Base-Base interactions energy: -51.397
where: short stacking energy: -28.123
Base-Backbone interact. energy: 0.345
local terms energy: -42.250013
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: 0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -216.303215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.303215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.303215 (E_RNA)
where:
Base-Base interactions energy: -138.433
where: short stacking energy: -61.317
Base-Backbone interact. energy: -0.089
local terms energy: -77.781293
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -184.526817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.526817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.526817 (E_RNA)
where:
Base-Base interactions energy: -113.605
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.050
local terms energy: -70.871915
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -16.158
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: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -177.995637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.995637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.995637 (E_RNA)
where:
Base-Base interactions energy: -112.686
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.251
local terms energy: -65.057697
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -179.128342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.128342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.128342 (E_RNA)
where:
Base-Base interactions energy: -109.782
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.082
local terms energy: -69.264150
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -154.101676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.101676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.101676 (E_RNA)
where:
Base-Base interactions energy: -90.388
where: short stacking energy: -50.006
Base-Backbone interact. energy: 1.665
local terms energy: -65.378962
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -11.996
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: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -95.446192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.446192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.446192 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -34.278
Base-Backbone interact. energy: 0.613
local terms energy: -58.659156
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -9.060
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: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -145.214087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.214087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.214087 (E_RNA)
where:
Base-Base interactions energy: -83.361
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.170
local terms energy: -61.682562
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -12.462
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: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -101.077669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.077669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.077669 (E_RNA)
where:
Base-Base interactions energy: -60.417
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.151
local terms energy: -40.509710
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -6.542
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -74.744771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.744771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.744771 (E_RNA)
where:
Base-Base interactions energy: -29.197
where: short stacking energy: -28.081
Base-Backbone interact. energy: 0.747
local terms energy: -46.295319
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -0.741
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -79.643995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.643995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.643995 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -29.048
Base-Backbone interact. energy: -0.012
local terms energy: -46.529509
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -214.642303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.642303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.642303 (E_RNA)
where:
Base-Base interactions energy: -136.523
where: short stacking energy: -60.356
Base-Backbone interact. energy: -0.082
local terms energy: -78.036995
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -195.105234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.105234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.105234 (E_RNA)
where:
Base-Base interactions energy: -126.169
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.074
local terms energy: -68.861485
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -13.512
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: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -184.452388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.452388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.452388 (E_RNA)
where:
Base-Base interactions energy: -115.075
where: short stacking energy: -59.579
Base-Backbone interact. energy: -0.366
local terms energy: -69.010934
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -174.020653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.020653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.020653 (E_RNA)
where:
Base-Base interactions energy: -109.857
where: short stacking energy: -60.356
Base-Backbone interact. energy: -0.257
local terms energy: -63.906594
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -160.578971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.578971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.578971 (E_RNA)
where:
Base-Base interactions energy: -92.099
where: short stacking energy: -56.289
Base-Backbone interact. energy: 0.922
local terms energy: -69.402176
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -142.037346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.037346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.037346 (E_RNA)
where:
Base-Base interactions energy: -80.301
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.088
local terms energy: -61.648371
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -133.182632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.182632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.182632 (E_RNA)
where:
Base-Base interactions energy: -70.161
where: short stacking energy: -33.297
Base-Backbone interact. energy: -0.172
local terms energy: -62.849225
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -89.211100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.211100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.211100 (E_RNA)
where:
Base-Base interactions energy: -49.212
where: short stacking energy: -30.909
Base-Backbone interact. energy: -0.236
local terms energy: -39.763215
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -2.829
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -84.439938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.439938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.439938 (E_RNA)
where:
Base-Base interactions energy: -41.973
where: short stacking energy: -40.334
Base-Backbone interact. energy: 1.717
local terms energy: -44.184514
where:
bonds (distance) C4'-P energy: -7.513
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -8.563
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: 60
Temperature: 1.350000
Total energy: -82.717889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.717889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.717889 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -24.462
Base-Backbone interact. energy: 2.408
local terms energy: -49.250752
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -2.037
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: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -211.613703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.613703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.613703 (E_RNA)
where:
Base-Base interactions energy: -136.788
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.103
local terms energy: -74.722051
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -196.917464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.917464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.917464 (E_RNA)
where:
Base-Base interactions energy: -122.806
where: short stacking energy: -63.597
Base-Backbone interact. energy: 0.006
local terms energy: -74.117181
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.826
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: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -179.275079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.275079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.275079 (E_RNA)
where:
Base-Base interactions energy: -111.950
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.095
local terms energy: -67.230556
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -14.380
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: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -174.778191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.778191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.778191 (E_RNA)
where:
Base-Base interactions energy: -106.229
where: short stacking energy: -60.043
Base-Backbone interact. energy: 0.177
local terms energy: -68.725879
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -174.856685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.856685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.856685 (E_RNA)
where:
Base-Base interactions energy: -107.146
where: short stacking energy: -62.897
Base-Backbone interact. energy: -0.032
local terms energy: -67.678715
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -160.353828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.353828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.353828 (E_RNA)
where:
Base-Base interactions energy: -101.426
where: short stacking energy: -48.525
Base-Backbone interact. energy: -0.053
local terms energy: -58.875492
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -125.414590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.414590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.414590 (E_RNA)
where:
Base-Base interactions energy: -71.301
where: short stacking energy: -31.645
Base-Backbone interact. energy: -0.080
local terms energy: -54.033282
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -6.301
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: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -89.349814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.349814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.349814 (E_RNA)
where:
Base-Base interactions energy: -38.175
where: short stacking energy: -28.814
Base-Backbone interact. energy: 0.293
local terms energy: -51.468132
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -92.298515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.298515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.298515 (E_RNA)
where:
Base-Base interactions energy: -39.372
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.015
local terms energy: -52.911009
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -86.128723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.128723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.128723 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -27.113
Base-Backbone interact. energy: -0.073
local terms energy: -49.917450
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -3.915
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: 62
Temperature: 0.900000
Total energy: -193.982044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.982044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.982044 (E_RNA)
where:
Base-Base interactions energy: -127.323
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.002
local terms energy: -66.656856
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -214.311729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.311729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.311729 (E_RNA)
where:
Base-Base interactions energy: -142.674
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.013
local terms energy: -71.624814
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -177.437671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.437671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.437671 (E_RNA)
where:
Base-Base interactions energy: -111.185
where: short stacking energy: -45.704
Base-Backbone interact. energy: -0.239
local terms energy: -66.014146
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -182.241682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.241682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.241682 (E_RNA)
where:
Base-Base interactions energy: -121.184
where: short stacking energy: -50.569
Base-Backbone interact. energy: -0.181
local terms energy: -60.876445
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -163.127891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.127891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.127891 (E_RNA)
where:
Base-Base interactions energy: -106.275
where: short stacking energy: -48.467
Base-Backbone interact. energy: 3.348
local terms energy: -60.200808
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -164.728979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.728979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.728979 (E_RNA)
where:
Base-Base interactions energy: -108.489
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.060
local terms energy: -56.180713
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -14.150
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: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -96.116621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.116621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.116621 (E_RNA)
where:
Base-Base interactions energy: -40.053
where: short stacking energy: -40.053
Base-Backbone interact. energy: 0.200
local terms energy: -56.262923
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -87.895800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.895800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.895800 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -28.728
Base-Backbone interact. energy: -0.276
local terms energy: -50.129125
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -75.415257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.415257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.415257 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -28.774
Base-Backbone interact. energy: -0.123
local terms energy: -41.572991
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -75.550832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.550832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.550832 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -24.115
Base-Backbone interact. energy: -0.020
local terms energy: -44.749476
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -197.248988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.248988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.248988 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.602
local terms energy: -75.244779
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -209.647856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.647856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.647856 (E_RNA)
where:
Base-Base interactions energy: -134.891
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.627
local terms energy: -74.129724
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -177.826793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.826793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.826793 (E_RNA)
where:
Base-Base interactions energy: -113.092
where: short stacking energy: -53.494
Base-Backbone interact. energy: -0.138
local terms energy: -64.596682
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -168.065789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.065789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.065789 (E_RNA)
where:
Base-Base interactions energy: -103.132
where: short stacking energy: -52.543
Base-Backbone interact. energy: -0.857
local terms energy: -64.076768
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -172.944930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.944930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.944930 (E_RNA)
where:
Base-Base interactions energy: -109.835
where: short stacking energy: -55.543
Base-Backbone interact. energy: -0.457
local terms energy: -62.652304
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -139.835384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.835384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.835384 (E_RNA)
where:
Base-Base interactions energy: -76.678
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.267
local terms energy: -62.890290
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -5.537
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: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -95.351863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.351863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.351863 (E_RNA)
where:
Base-Base interactions energy: -42.783
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.112
local terms energy: -52.457257
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -84.510638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.510638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.510638 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -30.058
Base-Backbone interact. energy: -0.293
local terms energy: -49.232146
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -81.858731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.858731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.858731 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -20.457
Base-Backbone interact. energy: -0.524
local terms energy: -47.267460
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -78.843526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.843526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.843526 (E_RNA)
where:
Base-Base interactions energy: -39.951
where: short stacking energy: -27.409
Base-Backbone interact. energy: -0.105
local terms energy: -38.786694
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: 3.875
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: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -218.673584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.673584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.673584 (E_RNA)
where:
Base-Base interactions energy: -142.317
where: short stacking energy: -68.460
Base-Backbone interact. energy: -0.001
local terms energy: -76.356243
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -175.967548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.967548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.967548 (E_RNA)
where:
Base-Base interactions energy: -109.121
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.348
local terms energy: -66.498947
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -10.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -186.076517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.076517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.076517 (E_RNA)
where:
Base-Base interactions energy: -110.190
where: short stacking energy: -53.926
Base-Backbone interact. energy: 0.744
local terms energy: -76.630181
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -168.819686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.819686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.819686 (E_RNA)
where:
Base-Base interactions energy: -107.481
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.016
local terms energy: -61.322602
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -130.076157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.076157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.076157 (E_RNA)
where:
Base-Base interactions energy: -77.192
where: short stacking energy: -50.041
Base-Backbone interact. energy: -0.114
local terms energy: -52.769693
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -11.836
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: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -149.248481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.248481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.248481 (E_RNA)
where:
Base-Base interactions energy: -89.575
where: short stacking energy: -52.625
Base-Backbone interact. energy: -0.060
local terms energy: -59.613016
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -118.871772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.871772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.871772 (E_RNA)
where:
Base-Base interactions energy: -61.286
where: short stacking energy: -41.695
Base-Backbone interact. energy: -0.934
local terms energy: -56.651040
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.977
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: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -81.591150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.591150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.591150 (E_RNA)
where:
Base-Base interactions energy: -35.147
where: short stacking energy: -31.092
Base-Backbone interact. energy: -1.132
local terms energy: -45.312368
where:
bonds (distance) C4'-P energy: -6.551
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -3.938
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: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -83.265811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.265811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.265811 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.323
local terms energy: -46.985618
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -6.484
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: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -80.341556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341556 (E_RNA)
where:
Base-Base interactions energy: -30.759
where: short stacking energy: -30.759
Base-Backbone interact. energy: -0.186
local terms energy: -49.397021
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -217.090666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.090666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.090666 (E_RNA)
where:
Base-Base interactions energy: -144.010
where: short stacking energy: -66.110
Base-Backbone interact. energy: -0.028
local terms energy: -73.053021
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -202.447244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.447244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.447244 (E_RNA)
where:
Base-Base interactions energy: -133.909
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.383
local terms energy: -68.154793
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -17.778
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: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -174.213160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.213160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.213160 (E_RNA)
where:
Base-Base interactions energy: -103.990
where: short stacking energy: -57.866
Base-Backbone interact. energy: -0.004
local terms energy: -70.218428
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -139.288241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.288241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.288241 (E_RNA)
where:
Base-Base interactions energy: -73.190
where: short stacking energy: -51.177
Base-Backbone interact. energy: -0.152
local terms energy: -65.946368
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -9.955
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: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -143.168608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.168608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.168608 (E_RNA)
where:
Base-Base interactions energy: -79.627
where: short stacking energy: -51.030
Base-Backbone interact. energy: 0.192
local terms energy: -63.734048
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -156.307208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.307208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.307208 (E_RNA)
where:
Base-Base interactions energy: -90.308
where: short stacking energy: -46.025
Base-Backbone interact. energy: -0.464
local terms energy: -65.535614
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -12.125
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: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -98.020359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.020359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.020359 (E_RNA)
where:
Base-Base interactions energy: -42.880
where: short stacking energy: -41.321
Base-Backbone interact. energy: -1.233
local terms energy: -53.907460
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -7.980
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: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -93.196243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.196243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.196243 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.169
local terms energy: -53.350442
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -83.834536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.834536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.834536 (E_RNA)
where:
Base-Base interactions energy: -42.678
where: short stacking energy: -27.930
Base-Backbone interact. energy: -0.068
local terms energy: -41.089319
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: 1.659
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: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -80.168319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.168319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.168319 (E_RNA)
where:
Base-Base interactions energy: -38.311
where: short stacking energy: -24.858
Base-Backbone interact. energy: -0.030
local terms energy: -41.827813
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -2.939
tors. eta vs tors. theta energy: 1.122
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: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -215.099460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.099460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.099460 (E_RNA)
where:
Base-Base interactions energy: -130.567
where: short stacking energy: -73.807
Base-Backbone interact. energy: -0.000
local terms energy: -84.532674
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -9.759
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: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -207.941120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.941120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.941120 (E_RNA)
where:
Base-Base interactions energy: -131.445
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.171
local terms energy: -76.324559
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -176.920356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.920356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.920356 (E_RNA)
where:
Base-Base interactions energy: -107.248
where: short stacking energy: -58.836
Base-Backbone interact. energy: -1.084
local terms energy: -68.588174
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -148.855477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.855477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.855477 (E_RNA)
where:
Base-Base interactions energy: -80.324
where: short stacking energy: -50.192
Base-Backbone interact. energy: 0.204
local terms energy: -68.736099
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -154.169681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.169681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.169681 (E_RNA)
where:
Base-Base interactions energy: -95.045
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.022
local terms energy: -59.102478
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -128.020408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.020408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.020408 (E_RNA)
where:
Base-Base interactions energy: -74.046
where: short stacking energy: -44.739
Base-Backbone interact. energy: 0.343
local terms energy: -54.317710
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -11.391
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: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -88.784499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.784499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.784499 (E_RNA)
where:
Base-Base interactions energy: -40.443
where: short stacking energy: -28.818
Base-Backbone interact. energy: -0.293
local terms energy: -48.048874
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -99.723194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.723194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.723194 (E_RNA)
where:
Base-Base interactions energy: -33.233
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.978
local terms energy: -65.512062
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -80.433451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.433451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.433451 (E_RNA)
where:
Base-Base interactions energy: -33.342
where: short stacking energy: -24.882
Base-Backbone interact. energy: -0.129
local terms energy: -46.961665
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -70.497131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.497131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.497131 (E_RNA)
where:
Base-Base interactions energy: -24.985
where: short stacking energy: -16.941
Base-Backbone interact. energy: 0.862
local terms energy: -46.374215
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -207.823246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.823246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.823246 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -73.129
Base-Backbone interact. energy: -0.001
local terms energy: -73.319971
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -212.146590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.146590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.146590 (E_RNA)
where:
Base-Base interactions energy: -135.456
where: short stacking energy: -68.193
Base-Backbone interact. energy: -0.001
local terms energy: -76.690285
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -19.875
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: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -176.522233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.522233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.522233 (E_RNA)
where:
Base-Base interactions energy: -109.344
where: short stacking energy: -50.003
Base-Backbone interact. energy: -0.094
local terms energy: -67.084559
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -176.937225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.937225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.937225 (E_RNA)
where:
Base-Base interactions energy: -114.154
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.494
local terms energy: -62.288671
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -11.577
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: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -139.016440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.016440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.016440 (E_RNA)
where:
Base-Base interactions energy: -83.332
where: short stacking energy: -46.619
Base-Backbone interact. energy: 2.716
local terms energy: -58.400739
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -9.157
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: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -149.700289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.700289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.700289 (E_RNA)
where:
Base-Base interactions energy: -94.100
where: short stacking energy: -43.163
Base-Backbone interact. energy: -0.280
local terms energy: -55.320516
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -9.165
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: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -90.035198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.035198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.035198 (E_RNA)
where:
Base-Base interactions energy: -36.062
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.120
local terms energy: -53.853612
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -4.785
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: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -91.746153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.746153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.746153 (E_RNA)
where:
Base-Base interactions energy: -44.229
where: short stacking energy: -22.721
Base-Backbone interact. energy: -0.107
local terms energy: -47.410465
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -88.038445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.038445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.038445 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -25.869
Base-Backbone interact. energy: -0.318
local terms energy: -49.939094
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -71.128944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.128944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.128944 (E_RNA)
where:
Base-Base interactions energy: -28.771
where: short stacking energy: -19.223
Base-Backbone interact. energy: -0.367
local terms energy: -41.991066
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -10.096
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: 2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -210.189215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.189215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.189215 (E_RNA)
where:
Base-Base interactions energy: -131.701
where: short stacking energy: -67.306
Base-Backbone interact. energy: -0.565
local terms energy: -77.922911
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -207.003046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.003046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.003046 (E_RNA)
where:
Base-Base interactions energy: -132.458
where: short stacking energy: -68.479
Base-Backbone interact. energy: -0.005
local terms energy: -74.540067
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -186.419526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.419526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.419526 (E_RNA)
where:
Base-Base interactions energy: -117.407
where: short stacking energy: -59.924
Base-Backbone interact. energy: -0.152
local terms energy: -68.860044
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -176.264872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.264872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.264872 (E_RNA)
where:
Base-Base interactions energy: -107.239
where: short stacking energy: -49.357
Base-Backbone interact. energy: -0.215
local terms energy: -68.810672
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.392
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: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -158.823513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.823513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.823513 (E_RNA)
where:
Base-Base interactions energy: -89.842
where: short stacking energy: -44.743
Base-Backbone interact. energy: -0.131
local terms energy: -68.850777
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -12.358
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: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -138.137185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.137185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.137185 (E_RNA)
where:
Base-Base interactions energy: -74.478
where: short stacking energy: -45.717
Base-Backbone interact. energy: -0.009
local terms energy: -63.649565
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -94.600752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.600752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.600752 (E_RNA)
where:
Base-Base interactions energy: -43.583
where: short stacking energy: -17.075
Base-Backbone interact. energy: -1.008
local terms energy: -50.010459
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -1.074
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: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -94.306852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.306852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.306852 (E_RNA)
where:
Base-Base interactions energy: -38.502
where: short stacking energy: -14.032
Base-Backbone interact. energy: -0.296
local terms energy: -55.508158
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -90.760094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.760094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.760094 (E_RNA)
where:
Base-Base interactions energy: -37.776
where: short stacking energy: -37.776
Base-Backbone interact. energy: -0.162
local terms energy: -52.821350
where:
bonds (distance) C4'-P energy: -3.949
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -84.626974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.626974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.626974 (E_RNA)
where:
Base-Base interactions energy: -37.281
where: short stacking energy: -28.273
Base-Backbone interact. energy: -0.174
local terms energy: -47.171942
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -0.319
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -208.269549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.269549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.269549 (E_RNA)
where:
Base-Base interactions energy: -138.049
where: short stacking energy: -69.805
Base-Backbone interact. energy: 0.364
local terms energy: -70.584506
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -207.558752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.558752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.558752 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -72.508
Base-Backbone interact. energy: -0.002
local terms energy: -77.764192
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -182.564289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.564289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.564289 (E_RNA)
where:
Base-Base interactions energy: -107.570
where: short stacking energy: -62.407
Base-Backbone interact. energy: -0.418
local terms energy: -74.577131
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -17.288
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: 69
Temperature: 1.050000
Total energy: -157.950844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.950844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.950844 (E_RNA)
where:
Base-Base interactions energy: -102.570
where: short stacking energy: -41.527
Base-Backbone interact. energy: -0.445
local terms energy: -54.936531
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -161.402228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.402228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.402228 (E_RNA)
where:
Base-Base interactions energy: -97.920
where: short stacking energy: -50.134
Base-Backbone interact. energy: -0.589
local terms energy: -62.893632
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -151.406732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.406732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.406732 (E_RNA)
where:
Base-Base interactions energy: -88.408
where: short stacking energy: -49.330
Base-Backbone interact. energy: -0.150
local terms energy: -62.849049
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -5.220
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: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -98.556409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.556409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.556409 (E_RNA)
where:
Base-Base interactions energy: -43.655
where: short stacking energy: -42.148
Base-Backbone interact. energy: -0.008
local terms energy: -54.893538
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -10.709
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: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -100.879564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.879564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.879564 (E_RNA)
where:
Base-Base interactions energy: -51.499
where: short stacking energy: -36.872
Base-Backbone interact. energy: -0.502
local terms energy: -48.878607
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -89.485444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.485444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.485444 (E_RNA)
where:
Base-Base interactions energy: -38.981
where: short stacking energy: -23.425
Base-Backbone interact. energy: -0.155
local terms energy: -50.349497
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -85.013405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.013405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.013405 (E_RNA)
where:
Base-Base interactions energy: -35.616
where: short stacking energy: -22.149
Base-Backbone interact. energy: -0.082
local terms energy: -49.315300
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -217.412980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.412980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.412980 (E_RNA)
where:
Base-Base interactions energy: -138.968
where: short stacking energy: -75.449
Base-Backbone interact. energy: -0.002
local terms energy: -78.443249
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -216.226954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.226954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.226954 (E_RNA)
where:
Base-Base interactions energy: -139.299
where: short stacking energy: -69.461
Base-Backbone interact. energy: -0.207
local terms energy: -76.721241
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -196.911863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.911863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.911863 (E_RNA)
where:
Base-Base interactions energy: -123.705
where: short stacking energy: -60.396
Base-Backbone interact. energy: -0.211
local terms energy: -72.995672
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -15.172
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: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -153.100075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.100075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.100075 (E_RNA)
where:
Base-Base interactions energy: -87.964
where: short stacking energy: -51.252
Base-Backbone interact. energy: 0.379
local terms energy: -65.515290
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -156.487938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.487938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.487938 (E_RNA)
where:
Base-Base interactions energy: -90.056
where: short stacking energy: -52.579
Base-Backbone interact. energy: -0.801
local terms energy: -65.631042
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -10.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -138.621510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.621510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.621510 (E_RNA)
where:
Base-Base interactions energy: -84.570
where: short stacking energy: -52.931
Base-Backbone interact. energy: -0.052
local terms energy: -53.998854
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -6.228
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: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -132.378427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.378427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.378427 (E_RNA)
where:
Base-Base interactions energy: -65.328
where: short stacking energy: -35.640
Base-Backbone interact. energy: -0.943
local terms energy: -66.107903
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -6.046
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: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -76.705368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.705368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.705368 (E_RNA)
where:
Base-Base interactions energy: -27.199
where: short stacking energy: -23.405
Base-Backbone interact. energy: -0.147
local terms energy: -49.358872
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -1.383
tors. eta vs tors. theta energy: 1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -77.476674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.476674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.476674 (E_RNA)
where:
Base-Base interactions energy: -29.012
where: short stacking energy: -28.364
Base-Backbone interact. energy: -0.463
local terms energy: -48.001523
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -81.496550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.496550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.496550 (E_RNA)
where:
Base-Base interactions energy: -34.350
where: short stacking energy: -31.758
Base-Backbone interact. energy: -0.174
local terms energy: -46.972884
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -5.312
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -4.001
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: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -210.154525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.154525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.154525 (E_RNA)
where:
Base-Base interactions energy: -139.933
where: short stacking energy: -69.058
Base-Backbone interact. energy: -0.012
local terms energy: -70.209201
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -196.098972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.098972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.098972 (E_RNA)
where:
Base-Base interactions energy: -123.839
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.299
local terms energy: -71.961201
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -16.667
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: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -201.049658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.049658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049658 (E_RNA)
where:
Base-Base interactions energy: -125.186
where: short stacking energy: -61.383
Base-Backbone interact. energy: -0.009
local terms energy: -75.853980
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -18.819
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: 71
Temperature: 1.050000
Total energy: -163.176672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.176672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.176672 (E_RNA)
where:
Base-Base interactions energy: -100.197
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.723
local terms energy: -62.256955
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -152.896575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.896575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.896575 (E_RNA)
where:
Base-Base interactions energy: -91.979
where: short stacking energy: -47.981
Base-Backbone interact. energy: -0.093
local terms energy: -60.824721
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -129.977749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.977749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.977749 (E_RNA)
where:
Base-Base interactions energy: -69.334
where: short stacking energy: -36.667
Base-Backbone interact. energy: -0.267
local terms energy: -60.376661
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -97.988503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.988503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.988503 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -33.016
Base-Backbone interact. energy: -0.057
local terms energy: -58.045129
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -98.443743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.443743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.443743 (E_RNA)
where:
Base-Base interactions energy: -47.130
where: short stacking energy: -25.031
Base-Backbone interact. energy: -0.540
local terms energy: -50.773214
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -0.598
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: 71
Temperature: 1.300000
Total energy: -86.349920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.349920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.349920 (E_RNA)
where:
Base-Base interactions energy: -40.795
where: short stacking energy: -24.874
Base-Backbone interact. energy: -0.124
local terms energy: -45.430548
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -82.184091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184091 (E_RNA)
where:
Base-Base interactions energy: -34.507
where: short stacking energy: -27.059
Base-Backbone interact. energy: -0.168
local terms energy: -47.508824
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: -4.694
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: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -203.514069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.514069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.514069 (E_RNA)
where:
Base-Base interactions energy: -129.667
where: short stacking energy: -57.361
Base-Backbone interact. energy: 0.040
local terms energy: -73.887604
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -212.060172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.060172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.060172 (E_RNA)
where:
Base-Base interactions energy: -127.742
where: short stacking energy: -76.121
Base-Backbone interact. energy: -3.082
local terms energy: -81.236935
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -197.963292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.963292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.963292 (E_RNA)
where:
Base-Base interactions energy: -128.500
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.124
local terms energy: -69.339781
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -177.244482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.244482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.244482 (E_RNA)
where:
Base-Base interactions energy: -110.208
where: short stacking energy: -54.511
Base-Backbone interact. energy: -0.027
local terms energy: -67.009525
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -139.999770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.999770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.999770 (E_RNA)
where:
Base-Base interactions energy: -80.235
where: short stacking energy: -42.612
Base-Backbone interact. energy: -1.217
local terms energy: -58.547777
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -135.348770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.348770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.348770 (E_RNA)
where:
Base-Base interactions energy: -78.198
where: short stacking energy: -30.506
Base-Backbone interact. energy: -0.316
local terms energy: -56.835289
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -93.531200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.531200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.531200 (E_RNA)
where:
Base-Base interactions energy: -35.072
where: short stacking energy: -26.881
Base-Backbone interact. energy: -0.935
local terms energy: -57.524183
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -120.380360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.380360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.380360 (E_RNA)
where:
Base-Base interactions energy: -60.322
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.024
local terms energy: -60.034340
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -79.769751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.769751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.769751 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -34.244
Base-Backbone interact. energy: -0.202
local terms energy: -40.970389
where:
bonds (distance) C4'-P energy: -6.995
bonds (distance) P-C4' energy: -7.851
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -82.879171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.879171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.879171 (E_RNA)
where:
Base-Base interactions energy: -30.042
where: short stacking energy: -17.232
Base-Backbone interact. energy: -1.049
local terms energy: -51.788083
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: 0.659
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: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -209.758979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.758979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.758979 (E_RNA)
where:
Base-Base interactions energy: -143.157
where: short stacking energy: -63.318
Base-Backbone interact. energy: -0.760
local terms energy: -65.842503
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -203.456825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.456825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.456825 (E_RNA)
where:
Base-Base interactions energy: -134.715
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.037
local terms energy: -68.705357
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -179.436747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.436747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.436747 (E_RNA)
where:
Base-Base interactions energy: -107.165
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.107
local terms energy: -72.164038
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -148.267968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.267968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.267968 (E_RNA)
where:
Base-Base interactions energy: -87.841
where: short stacking energy: -43.894
Base-Backbone interact. energy: -0.559
local terms energy: -59.867369
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -158.839563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.839563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.839563 (E_RNA)
where:
Base-Base interactions energy: -99.694
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.020
local terms energy: -59.126092
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -99.299577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.299577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.299577 (E_RNA)
where:
Base-Base interactions energy: -40.874
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.436
local terms energy: -57.989585
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -6.942
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: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -153.166728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.166728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.166728 (E_RNA)
where:
Base-Base interactions energy: -93.616
where: short stacking energy: -53.471
Base-Backbone interact. energy: -0.021
local terms energy: -59.529224
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -12.926
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: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -99.370616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.370616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.370616 (E_RNA)
where:
Base-Base interactions energy: -45.509
where: short stacking energy: -26.574
Base-Backbone interact. energy: -0.183
local terms energy: -53.679256
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -94.708174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.708174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.708174 (E_RNA)
where:
Base-Base interactions energy: -52.083
where: short stacking energy: -19.961
Base-Backbone interact. energy: -0.169
local terms energy: -42.456256
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -5.965
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: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -75.400883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.400883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.400883 (E_RNA)
where:
Base-Base interactions energy: -31.223
where: short stacking energy: -27.892
Base-Backbone interact. energy: -0.004
local terms energy: -44.174397
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -4.117
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: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -211.688182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.688182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.688182 (E_RNA)
where:
Base-Base interactions energy: -132.931
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.003
local terms energy: -78.754441
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -197.298155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.298155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.298155 (E_RNA)
where:
Base-Base interactions energy: -128.753
where: short stacking energy: -56.079
Base-Backbone interact. energy: -0.478
local terms energy: -68.067409
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -13.140
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: 74
Temperature: 1.000000
Total energy: -128.964327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.964327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.964327 (E_RNA)
where:
Base-Base interactions energy: -73.912
where: short stacking energy: -45.517
Base-Backbone interact. energy: -0.131
local terms energy: -54.921196
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -171.444311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.444311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.444311 (E_RNA)
where:
Base-Base interactions energy: -111.810
where: short stacking energy: -43.787
Base-Backbone interact. energy: -0.933
local terms energy: -58.700584
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -170.757957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.757957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.757957 (E_RNA)
where:
Base-Base interactions energy: -101.301
where: short stacking energy: -53.622
Base-Backbone interact. energy: -0.141
local terms energy: -69.315483
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -12.301
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: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -97.587207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.587207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.587207 (E_RNA)
where:
Base-Base interactions energy: -37.229
where: short stacking energy: -29.007
Base-Backbone interact. energy: -0.235
local terms energy: -60.123112
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -7.198
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: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -133.886848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.886848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.886848 (E_RNA)
where:
Base-Base interactions energy: -80.253
where: short stacking energy: -43.354
Base-Backbone interact. energy: -0.114
local terms energy: -53.519790
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -2.730
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -82.236061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.236061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.236061 (E_RNA)
where:
Base-Base interactions energy: -29.188
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.318
local terms energy: -52.729506
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -1.392
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: 74
Temperature: 1.300000
Total energy: -75.544568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.544568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.544568 (E_RNA)
where:
Base-Base interactions energy: -25.763
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.401
local terms energy: -49.381349
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -81.217574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.217574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.217574 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -28.773
Base-Backbone interact. energy: -0.318
local terms energy: -46.267462
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -194.235738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.235738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.235738 (E_RNA)
where:
Base-Base interactions energy: -119.987
where: short stacking energy: -68.032
Base-Backbone interact. energy: -0.884
local terms energy: -73.364741
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -201.452536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.452536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.452536 (E_RNA)
where:
Base-Base interactions energy: -133.910
where: short stacking energy: -65.525
Base-Backbone interact. energy: -0.100
local terms energy: -67.442173
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -16.914
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: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -167.602567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.602567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.602567 (E_RNA)
where:
Base-Base interactions energy: -104.102
where: short stacking energy: -48.929
Base-Backbone interact. energy: -0.034
local terms energy: -63.466763
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -179.161491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.161491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.161491 (E_RNA)
where:
Base-Base interactions energy: -110.399
where: short stacking energy: -57.291
Base-Backbone interact. energy: -0.219
local terms energy: -68.543361
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -15.550
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: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -178.050658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.050658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.050658 (E_RNA)
where:
Base-Base interactions energy: -104.693
where: short stacking energy: -53.346
Base-Backbone interact. energy: -0.011
local terms energy: -73.346556
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -16.566
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: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -160.240783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.240783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.240783 (E_RNA)
where:
Base-Base interactions energy: -97.314
where: short stacking energy: -49.234
Base-Backbone interact. energy: -0.088
local terms energy: -62.838730
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -99.628792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.628792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.628792 (E_RNA)
where:
Base-Base interactions energy: -33.839
where: short stacking energy: -18.747
Base-Backbone interact. energy: -0.456
local terms energy: -65.334264
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -93.522807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.522807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.522807 (E_RNA)
where:
Base-Base interactions energy: -40.319
where: short stacking energy: -33.500
Base-Backbone interact. energy: -0.107
local terms energy: -53.097152
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.021819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.021819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.021819 (E_RNA)
where:
Base-Base interactions energy: -32.243
where: short stacking energy: -32.243
Base-Backbone interact. energy: -0.116
local terms energy: -46.662682
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -75.318068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.318068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.318068 (E_RNA)
where:
Base-Base interactions energy: -25.403
where: short stacking energy: -24.876
Base-Backbone interact. energy: -0.299
local terms energy: -49.615753
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -7.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -200.738674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.738674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.738674 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -62.758
Base-Backbone interact. energy: -0.147
local terms energy: -68.090943
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -12.279
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: 76
Temperature: 0.950000
Total energy: -195.670463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.670463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.670463 (E_RNA)
where:
Base-Base interactions energy: -120.558
where: short stacking energy: -63.826
Base-Backbone interact. energy: -0.873
local terms energy: -74.239380
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -191.057803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.057803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.057803 (E_RNA)
where:
Base-Base interactions energy: -125.181
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.152
local terms energy: -65.724841
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -11.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -150.247642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.247642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.247642 (E_RNA)
where:
Base-Base interactions energy: -90.153
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.338
local terms energy: -59.756946
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -8.042
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: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -191.868182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.868182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.868182 (E_RNA)
where:
Base-Base interactions energy: -122.776
where: short stacking energy: -55.286
Base-Backbone interact. energy: -0.012
local terms energy: -69.079404
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -10.439
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: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -149.497810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.497810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.497810 (E_RNA)
where:
Base-Base interactions energy: -93.481
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.264
local terms energy: -55.753377
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -8.842
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: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -114.706138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.706138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.706138 (E_RNA)
where:
Base-Base interactions energy: -66.983
where: short stacking energy: -30.341
Base-Backbone interact. energy: -1.029
local terms energy: -46.694423
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -4.299
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: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -87.949737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.949737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.949737 (E_RNA)
where:
Base-Base interactions energy: -31.956
where: short stacking energy: -23.645
Base-Backbone interact. energy: -0.171
local terms energy: -55.823182
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -81.118217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.118217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.118217 (E_RNA)
where:
Base-Base interactions energy: -38.189
where: short stacking energy: -34.819
Base-Backbone interact. energy: -0.269
local terms energy: -42.659832
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -81.837196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.837196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.837196 (E_RNA)
where:
Base-Base interactions energy: -27.449
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.168
local terms energy: -54.220927
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -207.238797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.238797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.238797 (E_RNA)
where:
Base-Base interactions energy: -132.551
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.634
local terms energy: -74.054034
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -176.459229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.459229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.459229 (E_RNA)
where:
Base-Base interactions energy: -104.073
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.906
local terms energy: -71.480711
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -189.430982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.430982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.430982 (E_RNA)
where:
Base-Base interactions energy: -116.455
where: short stacking energy: -70.982
Base-Backbone interact. energy: -0.240
local terms energy: -72.735787
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -9.828
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: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -198.524908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.524908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.524908 (E_RNA)
where:
Base-Base interactions energy: -130.782
where: short stacking energy: -57.618
Base-Backbone interact. energy: -0.103
local terms energy: -67.639317
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -159.417811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.417811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.417811 (E_RNA)
where:
Base-Base interactions energy: -94.000
where: short stacking energy: -53.444
Base-Backbone interact. energy: -0.035
local terms energy: -65.383454
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -10.619
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: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -139.381206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.381206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.381206 (E_RNA)
where:
Base-Base interactions energy: -83.089
where: short stacking energy: -49.931
Base-Backbone interact. energy: -0.161
local terms energy: -56.131119
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -154.324807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.324807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.324807 (E_RNA)
where:
Base-Base interactions energy: -91.107
where: short stacking energy: -36.976
Base-Backbone interact. energy: -0.148
local terms energy: -63.069107
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -10.017
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: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -76.004781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.004781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.004781 (E_RNA)
where:
Base-Base interactions energy: -33.522
where: short stacking energy: -24.391
Base-Backbone interact. energy: -0.162
local terms energy: -42.320365
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: 2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -84.600511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.600511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.600511 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.108
local terms energy: -51.978652
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -74.582558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.582558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.582558 (E_RNA)
where:
Base-Base interactions energy: -35.269
where: short stacking energy: -27.973
Base-Backbone interact. energy: 1.092
local terms energy: -40.405424
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -2.796
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: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -207.653056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.653056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.653056 (E_RNA)
where:
Base-Base interactions energy: -124.496
where: short stacking energy: -66.896
Base-Backbone interact. energy: -0.442
local terms energy: -82.715521
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -179.578383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.578383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.578383 (E_RNA)
where:
Base-Base interactions energy: -111.108
where: short stacking energy: -48.150
Base-Backbone interact. energy: -0.312
local terms energy: -68.158391
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -11.356
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: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -199.234212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.234212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.234212 (E_RNA)
where:
Base-Base interactions energy: -126.557
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.661
local terms energy: -72.016096
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -184.795798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.795798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.795798 (E_RNA)
where:
Base-Base interactions energy: -114.231
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.011
local terms energy: -70.553343
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -151.061317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.061317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.061317 (E_RNA)
where:
Base-Base interactions energy: -101.261
where: short stacking energy: -52.436
Base-Backbone interact. energy: -0.081
local terms energy: -49.718797
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -153.866546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.866546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.866546 (E_RNA)
where:
Base-Base interactions energy: -96.919
where: short stacking energy: -51.188
Base-Backbone interact. energy: -0.084
local terms energy: -56.863355
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -153.574458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.574458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.574458 (E_RNA)
where:
Base-Base interactions energy: -98.605
where: short stacking energy: -40.259
Base-Backbone interact. energy: 0.202
local terms energy: -55.171224
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -108.352075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.352075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.352075 (E_RNA)
where:
Base-Base interactions energy: -50.606
where: short stacking energy: -45.296
Base-Backbone interact. energy: -0.817
local terms energy: -56.929306
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -8.406
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: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -85.263296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.263296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.263296 (E_RNA)
where:
Base-Base interactions energy: -43.968
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.332
local terms energy: -40.963660
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -2.361
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: 1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -71.220278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.220278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.220278 (E_RNA)
where:
Base-Base interactions energy: -26.257
where: short stacking energy: -26.257
Base-Backbone interact. energy: -0.134
local terms energy: -44.829282
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: 0.317
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: 79
Temperature: 0.900000
Total energy: -197.475372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.475372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.475372 (E_RNA)
where:
Base-Base interactions energy: -117.838
where: short stacking energy: -65.196
Base-Backbone interact. energy: -1.304
local terms energy: -78.333459
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -212.683671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.683671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.683671 (E_RNA)
where:
Base-Base interactions energy: -133.208
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.009
local terms energy: -79.466737
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -176.725452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.725452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.725452 (E_RNA)
where:
Base-Base interactions energy: -104.527
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.102
local terms energy: -72.096508
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -175.592371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.592371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.592371 (E_RNA)
where:
Base-Base interactions energy: -107.129
where: short stacking energy: -54.550
Base-Backbone interact. energy: -0.301
local terms energy: -68.162896
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.541
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: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -174.393769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.393769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.393769 (E_RNA)
where:
Base-Base interactions energy: -106.069
where: short stacking energy: -50.677
Base-Backbone interact. energy: -0.534
local terms energy: -67.791385
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -136.298627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.298627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.298627 (E_RNA)
where:
Base-Base interactions energy: -81.367
where: short stacking energy: -42.406
Base-Backbone interact. energy: -0.277
local terms energy: -54.654772
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -2.349
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -109.246871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.246871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.246871 (E_RNA)
where:
Base-Base interactions energy: -52.171
where: short stacking energy: -35.530
Base-Backbone interact. energy: 0.251
local terms energy: -57.327336
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -4.241
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -95.473055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.473055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.473055 (E_RNA)
where:
Base-Base interactions energy: -40.283
where: short stacking energy: -33.018
Base-Backbone interact. energy: -0.182
local terms energy: -55.008074
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -82.202565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.202565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.202565 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -29.926
Base-Backbone interact. energy: 0.108
local terms energy: -49.619963
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -0.478
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: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -80.795553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.795553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.795553 (E_RNA)
where:
Base-Base interactions energy: -27.496
where: short stacking energy: -22.312
Base-Backbone interact. energy: -0.173
local terms energy: -53.126571
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -200.648988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.648988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.648988 (E_RNA)
where:
Base-Base interactions energy: -118.765
where: short stacking energy: -65.033
Base-Backbone interact. energy: -2.117
local terms energy: -79.766669
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -13.615
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: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -208.210636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.210636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.210636 (E_RNA)
where:
Base-Base interactions energy: -129.873
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.365
local terms energy: -77.972940
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -12.397
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: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -169.616855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.616855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.616855 (E_RNA)
where:
Base-Base interactions energy: -98.122
where: short stacking energy: -54.746
Base-Backbone interact. energy: -0.018
local terms energy: -71.476916
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -176.931943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.931943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.931943 (E_RNA)
where:
Base-Base interactions energy: -111.262
where: short stacking energy: -55.388
Base-Backbone interact. energy: -0.037
local terms energy: -65.633209
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -6.772
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: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -151.502758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.502758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.502758 (E_RNA)
where:
Base-Base interactions energy: -88.652
where: short stacking energy: -42.790
Base-Backbone interact. energy: -0.035
local terms energy: -62.815409
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -153.580217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.580217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.580217 (E_RNA)
where:
Base-Base interactions energy: -91.848
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.108
local terms energy: -61.624870
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -100.779975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.779975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.779975 (E_RNA)
where:
Base-Base interactions energy: -49.643
where: short stacking energy: -40.985
Base-Backbone interact. energy: 0.450
local terms energy: -51.586553
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -7.131
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: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -85.210104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.210104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.210104 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.159
local terms energy: -48.415151
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -5.010
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: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -78.066694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.066694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.066694 (E_RNA)
where:
Base-Base interactions energy: -27.976
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.079
local terms energy: -50.012098
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -3.106
tors. eta vs tors. theta energy: -3.991
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: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -79.494197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.494197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.494197 (E_RNA)
where:
Base-Base interactions energy: -27.740
where: short stacking energy: -26.829
Base-Backbone interact. energy: -0.135
local terms energy: -51.619522
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -4.185
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: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -201.879203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.879203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.879203 (E_RNA)
where:
Base-Base interactions energy: -121.784
where: short stacking energy: -65.838
Base-Backbone interact. energy: -2.982
local terms energy: -77.113384
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -17.727
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: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -209.261221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.261221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.261221 (E_RNA)
where:
Base-Base interactions energy: -138.273
where: short stacking energy: -71.337
Base-Backbone interact. energy: -0.003
local terms energy: -70.985221
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -181.105864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.105864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.105864 (E_RNA)
where:
Base-Base interactions energy: -114.359
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.090
local terms energy: -66.656231
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -17.204
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: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -180.632493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.632493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.632493 (E_RNA)
where:
Base-Base interactions energy: -108.105
where: short stacking energy: -67.085
Base-Backbone interact. energy: -0.007
local terms energy: -72.520863
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -164.565053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.565053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.565053 (E_RNA)
where:
Base-Base interactions energy: -95.937
where: short stacking energy: -55.800
Base-Backbone interact. energy: -0.286
local terms energy: -68.342196
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -8.388
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: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -154.209887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.209887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.209887 (E_RNA)
where:
Base-Base interactions energy: -91.301
where: short stacking energy: -45.375
Base-Backbone interact. energy: 0.146
local terms energy: -63.054759
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -92.919230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919230 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -32.643
Base-Backbone interact. energy: 1.045
local terms energy: -54.092162
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -2.530
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: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -85.382707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.382707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.382707 (E_RNA)
where:
Base-Base interactions energy: -26.518
where: short stacking energy: -21.714
Base-Backbone interact. energy: -0.128
local terms energy: -58.736581
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -2.599
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: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -85.168083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.168083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.168083 (E_RNA)
where:
Base-Base interactions energy: -31.352
where: short stacking energy: -30.173
Base-Backbone interact. energy: -0.326
local terms energy: -53.490217
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -4.871
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: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -81.966914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.966914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.966914 (E_RNA)
where:
Base-Base interactions energy: -30.409
where: short stacking energy: -30.158
Base-Backbone interact. energy: -0.034
local terms energy: -51.523732
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -207.135356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.135356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.135356 (E_RNA)
where:
Base-Base interactions energy: -120.152
where: short stacking energy: -70.640
Base-Backbone interact. energy: -2.919
local terms energy: -84.064895
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -12.117
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: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -208.780493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.780493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.780493 (E_RNA)
where:
Base-Base interactions energy: -138.722
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.036
local terms energy: -70.022740
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -12.340
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: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -193.544003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.544003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.544003 (E_RNA)
where:
Base-Base interactions energy: -119.238
where: short stacking energy: -68.672
Base-Backbone interact. energy: -0.105
local terms energy: -74.200617
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -20.314
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: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -175.108535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.108535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.108535 (E_RNA)
where:
Base-Base interactions energy: -108.570
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.042
local terms energy: -66.496482
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -155.336764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.336764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.336764 (E_RNA)
where:
Base-Base interactions energy: -98.061
where: short stacking energy: -53.612
Base-Backbone interact. energy: -0.101
local terms energy: -57.174328
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -163.202729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.202729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.202729 (E_RNA)
where:
Base-Base interactions energy: -99.754
where: short stacking energy: -53.776
Base-Backbone interact. energy: -0.066
local terms energy: -63.382584
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -12.472
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: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -102.826683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.826683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.826683 (E_RNA)
where:
Base-Base interactions energy: -40.864
where: short stacking energy: -40.864
Base-Backbone interact. energy: -0.025
local terms energy: -61.937939
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -8.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -84.579784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579784 (E_RNA)
where:
Base-Base interactions energy: -27.108
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.438
local terms energy: -57.034225
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -77.920061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.920061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.920061 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -29.659
Base-Backbone interact. energy: 0.913
local terms energy: -45.460203
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: 1.698
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: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -76.174232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.174232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.174232 (E_RNA)
where:
Base-Base interactions energy: -20.464
where: short stacking energy: -17.590
Base-Backbone interact. energy: -0.126
local terms energy: -55.583859
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -2.175
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: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -204.771327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.771327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.771327 (E_RNA)
where:
Base-Base interactions energy: -118.735
where: short stacking energy: -69.656
Base-Backbone interact. energy: -2.362
local terms energy: -83.674025
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -207.210013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.210013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.210013 (E_RNA)
where:
Base-Base interactions energy: -131.188
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.738
local terms energy: -75.284577
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -7.832
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: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -202.265055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.265055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.265055 (E_RNA)
where:
Base-Base interactions energy: -125.725
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.890
local terms energy: -75.649912
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -147.555795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.555795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.555795 (E_RNA)
where:
Base-Base interactions energy: -83.544
where: short stacking energy: -48.011
Base-Backbone interact. energy: -0.084
local terms energy: -63.927731
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -6.313
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: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -160.447005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.447005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.447005 (E_RNA)
where:
Base-Base interactions energy: -97.176
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.097
local terms energy: -63.173647
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -14.088
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: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -137.325983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.325983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.325983 (E_RNA)
where:
Base-Base interactions energy: -79.402
where: short stacking energy: -50.742
Base-Backbone interact. energy: -0.029
local terms energy: -57.895300
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -2.971
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: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -103.173435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.173435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.173435 (E_RNA)
where:
Base-Base interactions energy: -44.647
where: short stacking energy: -42.033
Base-Backbone interact. energy: -0.106
local terms energy: -58.419748
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -93.835592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.835592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.835592 (E_RNA)
where:
Base-Base interactions energy: -43.958
where: short stacking energy: -25.517
Base-Backbone interact. energy: 1.270
local terms energy: -51.148246
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -76.712953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.712953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.712953 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -37.565
Base-Backbone interact. energy: -0.086
local terms energy: -41.162160
where:
bonds (distance) C4'-P energy: -7.813
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -10.262
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: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -85.618975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.618975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.618975 (E_RNA)
where:
Base-Base interactions energy: -33.905
where: short stacking energy: -29.628
Base-Backbone interact. energy: -0.133
local terms energy: -51.580979
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -5.728
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: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -228.671575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.671575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.671575 (E_RNA)
where:
Base-Base interactions energy: -147.383
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.271
local terms energy: -81.018335
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -19.862
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: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -202.439035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.439035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.439035 (E_RNA)
where:
Base-Base interactions energy: -128.964
where: short stacking energy: -56.447
Base-Backbone interact. energy: -0.122
local terms energy: -73.353071
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -173.975098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.975098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.975098 (E_RNA)
where:
Base-Base interactions energy: -100.322
where: short stacking energy: -56.056
Base-Backbone interact. energy: -1.326
local terms energy: -72.327255
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -13.774
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: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -186.695500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.695500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.695500 (E_RNA)
where:
Base-Base interactions energy: -107.555
where: short stacking energy: -63.616
Base-Backbone interact. energy: -0.151
local terms energy: -78.988901
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -148.296440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.296440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.296440 (E_RNA)
where:
Base-Base interactions energy: -96.779
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.095
local terms energy: -51.423372
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -8.735
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -132.400028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.400028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.400028 (E_RNA)
where:
Base-Base interactions energy: -71.945
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.072
local terms energy: -60.382386
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -97.903441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.903441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.903441 (E_RNA)
where:
Base-Base interactions energy: -41.611
where: short stacking energy: -35.602
Base-Backbone interact. energy: 0.077
local terms energy: -56.369499
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -91.198138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.198138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.198138 (E_RNA)
where:
Base-Base interactions energy: -33.732
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.057
local terms energy: -57.409528
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -84.004993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.004993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.004993 (E_RNA)
where:
Base-Base interactions energy: -35.513
where: short stacking energy: -35.513
Base-Backbone interact. energy: -0.356
local terms energy: -48.136292
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -5.266
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: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -79.369979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.369979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.369979 (E_RNA)
where:
Base-Base interactions energy: -38.690
where: short stacking energy: -18.789
Base-Backbone interact. energy: -0.450
local terms energy: -40.230441
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -6.925
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -216.984661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.984661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.984661 (E_RNA)
where:
Base-Base interactions energy: -136.057
where: short stacking energy: -73.237
Base-Backbone interact. energy: -0.483
local terms energy: -80.444972
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -195.124807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.124807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.124807 (E_RNA)
where:
Base-Base interactions energy: -125.958
where: short stacking energy: -54.335
Base-Backbone interact. energy: -0.531
local terms energy: -68.635684
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -175.086069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.086069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.086069 (E_RNA)
where:
Base-Base interactions energy: -117.856
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.298
local terms energy: -56.932435
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -12.668
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: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -162.556854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.556854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.556854 (E_RNA)
where:
Base-Base interactions energy: -96.959
where: short stacking energy: -45.996
Base-Backbone interact. energy: -0.049
local terms energy: -65.548116
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -182.091163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.091163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.091163 (E_RNA)
where:
Base-Base interactions energy: -115.720
where: short stacking energy: -69.750
Base-Backbone interact. energy: -0.017
local terms energy: -66.353842
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -146.323540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.323540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.323540 (E_RNA)
where:
Base-Base interactions energy: -89.580
where: short stacking energy: -43.295
Base-Backbone interact. energy: 1.071
local terms energy: -57.814501
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -100.932245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.932245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.932245 (E_RNA)
where:
Base-Base interactions energy: -36.327
where: short stacking energy: -35.940
Base-Backbone interact. energy: -0.027
local terms energy: -64.578193
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -9.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -90.151486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.151486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.151486 (E_RNA)
where:
Base-Base interactions energy: -38.565
where: short stacking energy: -36.130
Base-Backbone interact. energy: -0.497
local terms energy: -51.089369
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -93.614110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.614110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.614110 (E_RNA)
where:
Base-Base interactions energy: -47.311
where: short stacking energy: -33.885
Base-Backbone interact. energy: -0.035
local terms energy: -46.268671
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -0.272
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -76.668788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.668788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.668788 (E_RNA)
where:
Base-Base interactions energy: -29.166
where: short stacking energy: -25.031
Base-Backbone interact. energy: -0.581
local terms energy: -46.922350
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -203.700707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.700707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.700707 (E_RNA)
where:
Base-Base interactions energy: -125.611
where: short stacking energy: -64.833
Base-Backbone interact. energy: -0.009
local terms energy: -78.080321
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -19.646
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: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -198.746677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.746677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.746677 (E_RNA)
where:
Base-Base interactions energy: -122.664
where: short stacking energy: -62.249
Base-Backbone interact. energy: -0.707
local terms energy: -75.375164
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -169.011363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.011363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.011363 (E_RNA)
where:
Base-Base interactions energy: -104.561
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.008
local terms energy: -64.441779
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -169.949043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.949043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.949043 (E_RNA)
where:
Base-Base interactions energy: -101.645
where: short stacking energy: -55.523
Base-Backbone interact. energy: -2.158
local terms energy: -66.146122
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -163.684854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.684854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.684854 (E_RNA)
where:
Base-Base interactions energy: -102.372
where: short stacking energy: -50.331
Base-Backbone interact. energy: -0.041
local terms energy: -61.272077
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -108.877901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.877901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.877901 (E_RNA)
where:
Base-Base interactions energy: -60.617
where: short stacking energy: -42.387
Base-Backbone interact. energy: -0.002
local terms energy: -48.259573
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -4.696
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: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -96.753371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.753371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.753371 (E_RNA)
where:
Base-Base interactions energy: -43.280
where: short stacking energy: -35.247
Base-Backbone interact. energy: -0.124
local terms energy: -53.348838
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -3.754
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: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -95.760164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.760164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.760164 (E_RNA)
where:
Base-Base interactions energy: -48.900
where: short stacking energy: -20.834
Base-Backbone interact. energy: -0.688
local terms energy: -46.171992
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: 1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -95.567559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.567559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.567559 (E_RNA)
where:
Base-Base interactions energy: -46.627
where: short stacking energy: -31.261
Base-Backbone interact. energy: -0.037
local terms energy: -48.903654
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: 0.319
tors. eta vs tors. theta energy: -7.131
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: 86
Temperature: 1.350000
Total energy: -82.322251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.322251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.322251 (E_RNA)
where:
Base-Base interactions energy: -24.628
where: short stacking energy: -24.396
Base-Backbone interact. energy: -0.450
local terms energy: -57.243727
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -224.116389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.116389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.116389 (E_RNA)
where:
Base-Base interactions energy: -143.038
where: short stacking energy: -79.264
Base-Backbone interact. energy: -0.053
local terms energy: -81.025840
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -211.922631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.922631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.922631 (E_RNA)
where:
Base-Base interactions energy: -131.512
where: short stacking energy: -64.648
Base-Backbone interact. energy: -3.475
local terms energy: -76.935123
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -12.249
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: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -172.923220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.923220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.923220 (E_RNA)
where:
Base-Base interactions energy: -103.618
where: short stacking energy: -53.151
Base-Backbone interact. energy: 0.040
local terms energy: -69.345282
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -170.094809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.094809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.094809 (E_RNA)
where:
Base-Base interactions energy: -103.102
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.113
local terms energy: -66.880064
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -182.317411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.317411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.317411 (E_RNA)
where:
Base-Base interactions energy: -113.008
where: short stacking energy: -63.519
Base-Backbone interact. energy: 0.689
local terms energy: -69.998341
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -109.033686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.033686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.033686 (E_RNA)
where:
Base-Base interactions energy: -62.867
where: short stacking energy: -36.058
Base-Backbone interact. energy: -0.134
local terms energy: -46.032968
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -7.901
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: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -86.607125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.607125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.607125 (E_RNA)
where:
Base-Base interactions energy: -45.873
where: short stacking energy: -26.227
Base-Backbone interact. energy: -0.003
local terms energy: -40.730766
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -2.454
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: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -85.303700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.303700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.303700 (E_RNA)
where:
Base-Base interactions energy: -35.423
where: short stacking energy: -34.791
Base-Backbone interact. energy: -0.189
local terms energy: -49.691618
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -75.906668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.906668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.906668 (E_RNA)
where:
Base-Base interactions energy: -35.774
where: short stacking energy: -25.075
Base-Backbone interact. energy: 0.406
local terms energy: -40.538613
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -3.442
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: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -89.820669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.820669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.820669 (E_RNA)
where:
Base-Base interactions energy: -30.164
where: short stacking energy: -16.608
Base-Backbone interact. energy: -0.371
local terms energy: -59.286413
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -1.087
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: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -222.706951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.706951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.706951 (E_RNA)
where:
Base-Base interactions energy: -145.640
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.228
local terms energy: -76.839229
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -191.866718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.866718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.866718 (E_RNA)
where:
Base-Base interactions energy: -115.982
where: short stacking energy: -67.342
Base-Backbone interact. energy: -0.643
local terms energy: -75.242125
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -164.040486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.040486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.040486 (E_RNA)
where:
Base-Base interactions energy: -100.278
where: short stacking energy: -55.179
Base-Backbone interact. energy: -0.142
local terms energy: -63.620666
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -12.114
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: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -172.852262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.852262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.852262 (E_RNA)
where:
Base-Base interactions energy: -102.070
where: short stacking energy: -59.694
Base-Backbone interact. energy: -2.875
local terms energy: -67.907543
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -10.990
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: 88
Temperature: 1.100000
Total energy: -157.330774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.330774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.330774 (E_RNA)
where:
Base-Base interactions energy: -89.289
where: short stacking energy: -45.939
Base-Backbone interact. energy: -0.132
local terms energy: -67.909869
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -98.284075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.284075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.284075 (E_RNA)
where:
Base-Base interactions energy: -38.700
where: short stacking energy: -27.893
Base-Backbone interact. energy: -0.157
local terms energy: -59.426957
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -11.597
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: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -90.624268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.624268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.624268 (E_RNA)
where:
Base-Base interactions energy: -47.314
where: short stacking energy: -42.398
Base-Backbone interact. energy: -0.193
local terms energy: -43.117412
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -1.776
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -90.137385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.137385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.137385 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -34.540
Base-Backbone interact. energy: -1.174
local terms energy: -54.423648
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -86.199809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.199809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.199809 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -30.387
Base-Backbone interact. energy: -0.323
local terms energy: -49.254530
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -5.225
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: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -82.100262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.100262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.100262 (E_RNA)
where:
Base-Base interactions energy: -35.242
where: short stacking energy: -27.339
Base-Backbone interact. energy: -0.007
local terms energy: -46.851570
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -3.230
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: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -217.787815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.787815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.787815 (E_RNA)
where:
Base-Base interactions energy: -141.125
where: short stacking energy: -72.721
Base-Backbone interact. energy: 0.179
local terms energy: -76.842206
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -182.465317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.465317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.465317 (E_RNA)
where:
Base-Base interactions energy: -112.079
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.239
local terms energy: -70.147616
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -8.800
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: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -191.706252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.706252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.706252 (E_RNA)
where:
Base-Base interactions energy: -116.095
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.968
local terms energy: -74.643821
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -169.742134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.742134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.742134 (E_RNA)
where:
Base-Base interactions energy: -99.188
where: short stacking energy: -55.347
Base-Backbone interact. energy: -0.001
local terms energy: -70.553059
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -16.866
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: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -152.707206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.707206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.707206 (E_RNA)
where:
Base-Base interactions energy: -90.796
where: short stacking energy: -52.793
Base-Backbone interact. energy: 0.762
local terms energy: -62.672844
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -92.460909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.460909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.460909 (E_RNA)
where:
Base-Base interactions energy: -49.443
where: short stacking energy: -38.288
Base-Backbone interact. energy: -0.264
local terms energy: -42.754396
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -9.149
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -3.112
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: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -90.383904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.383904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.383904 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -32.514
Base-Backbone interact. energy: 0.136
local terms energy: -55.587675
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -91.910975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.910975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.910975 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -31.468
Base-Backbone interact. energy: -0.373
local terms energy: -54.404343
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -8.034
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: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -89.799033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.799033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.799033 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -31.302
Base-Backbone interact. energy: -0.627
local terms energy: -52.570676
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -76.017823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.017823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.017823 (E_RNA)
where:
Base-Base interactions energy: -25.500
where: short stacking energy: -25.600
Base-Backbone interact. energy: -0.247
local terms energy: -50.270438
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -216.826684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.826684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.826684 (E_RNA)
where:
Base-Base interactions energy: -132.075
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.526
local terms energy: -84.226324
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -181.364137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.364137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364137 (E_RNA)
where:
Base-Base interactions energy: -109.189
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.104
local terms energy: -72.070984
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -188.035483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.035483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.035483 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -58.552
Base-Backbone interact. energy: -0.128
local terms energy: -64.417332
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -175.385243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.385243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.385243 (E_RNA)
where:
Base-Base interactions energy: -106.265
where: short stacking energy: -54.945
Base-Backbone interact. energy: -1.321
local terms energy: -67.798487
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -18.042
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: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -145.627796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.627796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.627796 (E_RNA)
where:
Base-Base interactions energy: -84.918
where: short stacking energy: -40.124
Base-Backbone interact. energy: -0.221
local terms energy: -60.489071
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -14.749
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: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -104.844297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.844297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.844297 (E_RNA)
where:
Base-Base interactions energy: -50.694
where: short stacking energy: -50.694
Base-Backbone interact. energy: -0.057
local terms energy: -54.093285
where:
bonds (distance) C4'-P energy: -6.824
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -108.249462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.249462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.249462 (E_RNA)
where:
Base-Base interactions energy: -54.783
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.107
local terms energy: -53.358904
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -9.549
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -99.955641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.955641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.955641 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -34.903
Base-Backbone interact. energy: -0.041
local terms energy: -55.198029
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -7.438
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: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -113.295546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.295546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.295546 (E_RNA)
where:
Base-Base interactions energy: -63.741
where: short stacking energy: -33.462
Base-Backbone interact. energy: 0.547
local terms energy: -50.101139
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -1.780
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: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -72.077847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.077847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.077847 (E_RNA)
where:
Base-Base interactions energy: -20.827
where: short stacking energy: -20.827
Base-Backbone interact. energy: -0.123
local terms energy: -51.127171
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -220.239619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.239619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.239619 (E_RNA)
where:
Base-Base interactions energy: -138.659
where: short stacking energy: -66.676
Base-Backbone interact. energy: -0.002
local terms energy: -81.578519
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -21.773
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: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -202.354830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.354830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.354830 (E_RNA)
where:
Base-Base interactions energy: -129.910
where: short stacking energy: -67.808
Base-Backbone interact. energy: -0.159
local terms energy: -72.286020
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -178.492444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.492444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.492444 (E_RNA)
where:
Base-Base interactions energy: -113.966
where: short stacking energy: -56.333
Base-Backbone interact. energy: -0.005
local terms energy: -64.521489
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -152.578953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.578953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.578953 (E_RNA)
where:
Base-Base interactions energy: -89.087
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.000
local terms energy: -63.491700
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -145.547400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.547400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.547400 (E_RNA)
where:
Base-Base interactions energy: -84.000
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.103
local terms energy: -61.444374
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -96.035065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.035065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.035065 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.841
local terms energy: -55.894060
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -101.366698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.366698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.366698 (E_RNA)
where:
Base-Base interactions energy: -44.099
where: short stacking energy: -40.549
Base-Backbone interact. energy: -0.078
local terms energy: -57.189860
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -9.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -116.615786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.615786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.615786 (E_RNA)
where:
Base-Base interactions energy: -65.906
where: short stacking energy: -37.422
Base-Backbone interact. energy: 0.800
local terms energy: -51.509489
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -86.658753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.658753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.658753 (E_RNA)
where:
Base-Base interactions energy: -36.786
where: short stacking energy: -36.786
Base-Backbone interact. energy: -0.053
local terms energy: -49.819546
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -9.101
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: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -87.554819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.554819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.554819 (E_RNA)
where:
Base-Base interactions energy: -40.645
where: short stacking energy: -34.766
Base-Backbone interact. energy: 0.192
local terms energy: -47.101637
where:
bonds (distance) C4'-P energy: -6.257
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -198.498441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.498441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.498441 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.816
local terms energy: -74.180256
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -208.802760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.802760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.802760 (E_RNA)
where:
Base-Base interactions energy: -136.289
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.713
local terms energy: -71.800916
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -18.750
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: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -179.734512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.734512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.734512 (E_RNA)
where:
Base-Base interactions energy: -108.685
where: short stacking energy: -54.113
Base-Backbone interact. energy: -0.111
local terms energy: -70.938174
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -14.240
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: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -160.243327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.243327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.243327 (E_RNA)
where:
Base-Base interactions energy: -94.936
where: short stacking energy: -48.612
Base-Backbone interact. energy: -0.052
local terms energy: -65.255473
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -12.908
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: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -131.604441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.604441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.604441 (E_RNA)
where:
Base-Base interactions energy: -61.250
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.015
local terms energy: -70.339830
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -141.656690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.656690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.656690 (E_RNA)
where:
Base-Base interactions energy: -87.328
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.217
local terms energy: -54.111909
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -88.720834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.720834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.720834 (E_RNA)
where:
Base-Base interactions energy: -47.626
where: short stacking energy: -30.620
Base-Backbone interact. energy: -0.787
local terms energy: -40.307586
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: 2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -89.468488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468488 (E_RNA)
where:
Base-Base interactions energy: -42.961
where: short stacking energy: -28.159
Base-Backbone interact. energy: -0.531
local terms energy: -45.976433
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -2.364
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -91.900581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.900581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.900581 (E_RNA)
where:
Base-Base interactions energy: -40.433
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.312
local terms energy: -51.155792
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -94.740073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.740073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.740073 (E_RNA)
where:
Base-Base interactions energy: -37.410
where: short stacking energy: -37.410
Base-Backbone interact. energy: -0.089
local terms energy: -57.240564
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -7.252
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: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -198.454506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.454506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.454506 (E_RNA)
where:
Base-Base interactions energy: -120.895
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.729
local terms energy: -76.830878
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -218.912253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.912253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.912253 (E_RNA)
where:
Base-Base interactions energy: -138.032
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.009
local terms energy: -80.870452
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -13.711
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: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -184.678222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.678222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.678222 (E_RNA)
where:
Base-Base interactions energy: -124.465
where: short stacking energy: -51.679
Base-Backbone interact. energy: -0.054
local terms energy: -60.158792
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -14.005
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: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -184.216930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.216930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.216930 (E_RNA)
where:
Base-Base interactions energy: -112.798
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.039
local terms energy: -71.380464
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -101.006141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.006141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.006141 (E_RNA)
where:
Base-Base interactions energy: -40.913
where: short stacking energy: -40.913
Base-Backbone interact. energy: -0.562
local terms energy: -59.530981
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -7.818
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -147.036465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.036465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.036465 (E_RNA)
where:
Base-Base interactions energy: -88.005
where: short stacking energy: -36.995
Base-Backbone interact. energy: -0.325
local terms energy: -58.706531
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -8.955
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: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -129.480339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.480339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.480339 (E_RNA)
where:
Base-Base interactions energy: -75.275
where: short stacking energy: -40.499
Base-Backbone interact. energy: -0.142
local terms energy: -54.064205
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -85.655773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.655773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.655773 (E_RNA)
where:
Base-Base interactions energy: -34.352
where: short stacking energy: -31.488
Base-Backbone interact. energy: -0.135
local terms energy: -51.168465
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -9.608
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -76.840240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.840240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.840240 (E_RNA)
where:
Base-Base interactions energy: -26.697
where: short stacking energy: -23.245
Base-Backbone interact. energy: 1.710
local terms energy: -51.853465
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.083214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.083214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.083214 (E_RNA)
where:
Base-Base interactions energy: -25.848
where: short stacking energy: -19.996
Base-Backbone interact. energy: 0.974
local terms energy: -50.208894
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -221.478744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.478744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.478744 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -73.462
Base-Backbone interact. energy: -0.652
local terms energy: -80.448245
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -187.027327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.027327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.027327 (E_RNA)
where:
Base-Base interactions energy: -125.126
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.688
local terms energy: -61.213228
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -178.598214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.598214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.598214 (E_RNA)
where:
Base-Base interactions energy: -105.399
where: short stacking energy: -57.396
Base-Backbone interact. energy: -0.054
local terms energy: -73.144534
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -203.057116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.057116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.057116 (E_RNA)
where:
Base-Base interactions energy: -131.325
where: short stacking energy: -61.061
Base-Backbone interact. energy: -0.123
local terms energy: -71.609038
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -9.390
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: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -156.984095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.984095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.984095 (E_RNA)
where:
Base-Base interactions energy: -91.263
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.007
local terms energy: -65.714702
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -8.474
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: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -111.446749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.446749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.446749 (E_RNA)
where:
Base-Base interactions energy: -48.858
where: short stacking energy: -43.944
Base-Backbone interact. energy: -0.299
local terms energy: -62.290191
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -5.850
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: 7, replica: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -95.119139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.119139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.119139 (E_RNA)
where:
Base-Base interactions energy: -39.679
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.002
local terms energy: -55.438230
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -124.401110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.401110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.401110 (E_RNA)
where:
Base-Base interactions energy: -68.184
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.758
local terms energy: -55.459693
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -1.674
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: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -89.401242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.401242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.401242 (E_RNA)
where:
Base-Base interactions energy: -48.763
where: short stacking energy: -23.691
Base-Backbone interact. energy: -0.162
local terms energy: -40.476266
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: 3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -77.611126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.611126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.611126 (E_RNA)
where:
Base-Base interactions energy: -27.579
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.033
local terms energy: -49.998937
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -226.478961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.478961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.478961 (E_RNA)
where:
Base-Base interactions energy: -140.779
where: short stacking energy: -75.661
Base-Backbone interact. energy: -0.006
local terms energy: -85.694390
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -166.030048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.030048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.030048 (E_RNA)
where:
Base-Base interactions energy: -102.609
where: short stacking energy: -50.388
Base-Backbone interact. energy: -0.143
local terms energy: -63.277962
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -194.394311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.394311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.394311 (E_RNA)
where:
Base-Base interactions energy: -126.873
where: short stacking energy: -67.501
Base-Backbone interact. energy: -0.308
local terms energy: -67.213206
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -15.010
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -174.583239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.583239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.583239 (E_RNA)
where:
Base-Base interactions energy: -109.129
where: short stacking energy: -56.314
Base-Backbone interact. energy: -0.500
local terms energy: -64.953751
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -178.404870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.404870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.404870 (E_RNA)
where:
Base-Base interactions energy: -115.999
where: short stacking energy: -48.257
Base-Backbone interact. energy: -0.298
local terms energy: -62.107852
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -105.267920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.267920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.267920 (E_RNA)
where:
Base-Base interactions energy: -45.073
where: short stacking energy: -35.299
Base-Backbone interact. energy: -0.421
local terms energy: -59.774016
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -101.999824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.999824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.999824 (E_RNA)
where:
Base-Base interactions energy: -35.779
where: short stacking energy: -29.370
Base-Backbone interact. energy: -0.086
local terms energy: -66.134949
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -9.154
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: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -96.924474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.924474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.924474 (E_RNA)
where:
Base-Base interactions energy: -39.811
where: short stacking energy: -36.250
Base-Backbone interact. energy: -0.135
local terms energy: -56.977904
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -80.573464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.573464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.573464 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.200
local terms energy: -41.791701
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -1.274
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -78.677627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.677627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.677627 (E_RNA)
where:
Base-Base interactions energy: -26.921
where: short stacking energy: -23.514
Base-Backbone interact. energy: -0.239
local terms energy: -51.518170
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -225.568299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.568299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.568299 (E_RNA)
where:
Base-Base interactions energy: -148.950
where: short stacking energy: -78.714
Base-Backbone interact. energy: -0.679
local terms energy: -75.938526
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -20.051
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: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -180.616123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.616123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.616123 (E_RNA)
where:
Base-Base interactions energy: -108.422
where: short stacking energy: -61.684
Base-Backbone interact. energy: -0.318
local terms energy: -71.876023
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -196.834612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.834612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.834612 (E_RNA)
where:
Base-Base interactions energy: -121.587
where: short stacking energy: -62.017
Base-Backbone interact. energy: -0.180
local terms energy: -75.068152
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -166.214331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.214331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.214331 (E_RNA)
where:
Base-Base interactions energy: -93.727
where: short stacking energy: -53.599
Base-Backbone interact. energy: -0.558
local terms energy: -71.929614
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -168.999130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.999130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.999130 (E_RNA)
where:
Base-Base interactions energy: -107.506
where: short stacking energy: -56.733
Base-Backbone interact. energy: 0.548
local terms energy: -62.041166
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -125.008215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.008215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.008215 (E_RNA)
where:
Base-Base interactions energy: -71.514
where: short stacking energy: -30.310
Base-Backbone interact. energy: -0.320
local terms energy: -53.174481
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -107.966314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.966314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.966314 (E_RNA)
where:
Base-Base interactions energy: -54.374
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.371
local terms energy: -53.221281
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -84.615099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.615099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.615099 (E_RNA)
where:
Base-Base interactions energy: -41.166
where: short stacking energy: -39.008
Base-Backbone interact. energy: 1.804
local terms energy: -45.252342
where:
bonds (distance) C4'-P energy: -5.909
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -78.232464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.232464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.232464 (E_RNA)
where:
Base-Base interactions energy: -24.851
where: short stacking energy: -21.378
Base-Backbone interact. energy: -0.209
local terms energy: -53.173174
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -8.607
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: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.587560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.587560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.587560 (E_RNA)
where:
Base-Base interactions energy: -26.384
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.399
local terms energy: -53.804269
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -226.776177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.776177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.776177 (E_RNA)
where:
Base-Base interactions energy: -143.237
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.569
local terms energy: -82.970503
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -21.733
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: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -196.659070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.659070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.659070 (E_RNA)
where:
Base-Base interactions energy: -122.800
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.002
local terms energy: -73.857752
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -177.415588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.415588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.415588 (E_RNA)
where:
Base-Base interactions energy: -109.559
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.473
local terms energy: -67.383578
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -172.083116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.083116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.083116 (E_RNA)
where:
Base-Base interactions energy: -102.039
where: short stacking energy: -52.228
Base-Backbone interact. energy: -0.071
local terms energy: -69.973462
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -161.709604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.709604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.709604 (E_RNA)
where:
Base-Base interactions energy: -93.808
where: short stacking energy: -48.649
Base-Backbone interact. energy: -0.100
local terms energy: -67.801692
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -92.623522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.623522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.623522 (E_RNA)
where:
Base-Base interactions energy: -46.005
where: short stacking energy: -35.359
Base-Backbone interact. energy: 0.277
local terms energy: -46.896270
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: 0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -116.433567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.433567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.433567 (E_RNA)
where:
Base-Base interactions energy: -67.455
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.228
local terms energy: -48.750466
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -8.011
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: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -87.410699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.410699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.410699 (E_RNA)
where:
Base-Base interactions energy: -37.733
where: short stacking energy: -22.819
Base-Backbone interact. energy: -0.042
local terms energy: -49.636521
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -78.656910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.656910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.656910 (E_RNA)
where:
Base-Base interactions energy: -27.952
where: short stacking energy: -27.952
Base-Backbone interact. energy: -0.180
local terms energy: -50.524576
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: 2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -79.373641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.373641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.373641 (E_RNA)
where:
Base-Base interactions energy: -22.912
where: short stacking energy: -22.912
Base-Backbone interact. energy: 0.230
local terms energy: -56.692030
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -211.143014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.143014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.143014 (E_RNA)
where:
Base-Base interactions energy: -137.088
where: short stacking energy: -74.226
Base-Backbone interact. energy: -0.487
local terms energy: -73.567739
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -213.627726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.627726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.627726 (E_RNA)
where:
Base-Base interactions energy: -134.151
where: short stacking energy: -69.821
Base-Backbone interact. energy: 0.059
local terms energy: -79.536155
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -174.429491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.429491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.429491 (E_RNA)
where:
Base-Base interactions energy: -108.159
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.017
local terms energy: -66.253228
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -180.666429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.666429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.666429 (E_RNA)
where:
Base-Base interactions energy: -119.711
where: short stacking energy: -58.893
Base-Backbone interact. energy: -0.434
local terms energy: -60.522017
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -168.367253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.367253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.367253 (E_RNA)
where:
Base-Base interactions energy: -107.655
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.020
local terms energy: -60.693003
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -100.516066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.516066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.516066 (E_RNA)
where:
Base-Base interactions energy: -44.000
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.107
local terms energy: -56.409361
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -94.040721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.040721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.040721 (E_RNA)
where:
Base-Base interactions energy: -42.203
where: short stacking energy: -42.203
Base-Backbone interact. energy: -0.003
local terms energy: -51.834872
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -94.979300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.979300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.979300 (E_RNA)
where:
Base-Base interactions energy: -42.645
where: short stacking energy: -27.065
Base-Backbone interact. energy: -0.203
local terms energy: -52.131949
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -81.744513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.744513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.744513 (E_RNA)
where:
Base-Base interactions energy: -33.497
where: short stacking energy: -29.745
Base-Backbone interact. energy: -0.254
local terms energy: -47.994000
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -4.785
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: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -73.675556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.675556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.675556 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -29.216
Base-Backbone interact. energy: -0.089
local terms energy: -40.118557
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -204.304994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.304994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.304994 (E_RNA)
where:
Base-Base interactions energy: -128.174
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.408
local terms energy: -75.722794
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -213.168020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.168020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.168020 (E_RNA)
where:
Base-Base interactions energy: -142.688
where: short stacking energy: -74.275
Base-Backbone interact. energy: -0.578
local terms energy: -69.901757
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -184.366115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.366115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.366115 (E_RNA)
where:
Base-Base interactions energy: -116.093
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.047
local terms energy: -68.226197
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -157.490009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.490009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.490009 (E_RNA)
where:
Base-Base interactions energy: -93.271
where: short stacking energy: -57.044
Base-Backbone interact. energy: 0.014
local terms energy: -64.232560
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -12.623
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: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -148.588504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.588504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.588504 (E_RNA)
where:
Base-Base interactions energy: -88.865
where: short stacking energy: -45.567
Base-Backbone interact. energy: -0.021
local terms energy: -59.702057
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -100.003129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.003129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.003129 (E_RNA)
where:
Base-Base interactions energy: -46.602
where: short stacking energy: -41.555
Base-Backbone interact. energy: -0.331
local terms energy: -53.069771
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -108.826823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.826823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.826823 (E_RNA)
where:
Base-Base interactions energy: -58.130
where: short stacking energy: -46.488
Base-Backbone interact. energy: 3.047
local terms energy: -53.743543
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -86.875036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.875036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.875036 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -33.014
Base-Backbone interact. energy: -0.007
local terms energy: -52.639379
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -86.695578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.695578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.695578 (E_RNA)
where:
Base-Base interactions energy: -32.054
where: short stacking energy: -32.054
Base-Backbone interact. energy: -0.004
local terms energy: -54.637317
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -78.367302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.367302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.367302 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -21.168
Base-Backbone interact. energy: -0.068
local terms energy: -45.552085
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: 2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -217.866336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.866336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.866336 (E_RNA)
where:
Base-Base interactions energy: -138.469
where: short stacking energy: -68.782
Base-Backbone interact. energy: -0.250
local terms energy: -79.146701
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -12.429
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: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -212.370152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.370152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.370152 (E_RNA)
where:
Base-Base interactions energy: -138.210
where: short stacking energy: -73.594
Base-Backbone interact. energy: 1.972
local terms energy: -76.132362
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -200.071831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.071831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.071831 (E_RNA)
where:
Base-Base interactions energy: -123.816
where: short stacking energy: -74.704
Base-Backbone interact. energy: -0.941
local terms energy: -75.314628
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -161.072703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.072703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.072703 (E_RNA)
where:
Base-Base interactions energy: -105.082
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.351
local terms energy: -55.639864
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -146.890515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.890515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.890515 (E_RNA)
where:
Base-Base interactions energy: -96.791
where: short stacking energy: -48.607
Base-Backbone interact. energy: -0.022
local terms energy: -50.077119
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -10.879
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: 100
Temperature: 1.150000
Total energy: -99.066659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.066659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.066659 (E_RNA)
where:
Base-Base interactions energy: -43.484
where: short stacking energy: -36.504
Base-Backbone interact. energy: -0.110
local terms energy: -55.472600
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -97.938933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.938933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.938933 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -37.928
Base-Backbone interact. energy: -0.033
local terms energy: -59.977388
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -87.618316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.618316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.618316 (E_RNA)
where:
Base-Base interactions energy: -41.429
where: short stacking energy: -37.871
Base-Backbone interact. energy: -0.209
local terms energy: -45.980701
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -7.083
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: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -82.798105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798105 (E_RNA)
where:
Base-Base interactions energy: -33.925
where: short stacking energy: -31.112
Base-Backbone interact. energy: -0.472
local terms energy: -48.401344
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -0.341
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: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -77.531243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.531243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.531243 (E_RNA)
where:
Base-Base interactions energy: -33.447
where: short stacking energy: -23.214
Base-Backbone interact. energy: -2.408
local terms energy: -41.676271
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: 1.284
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: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -210.135886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.135886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.135886 (E_RNA)
where:
Base-Base interactions energy: -130.531
where: short stacking energy: -71.291
Base-Backbone interact. energy: -2.031
local terms energy: -77.574341
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -209.171866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.171866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.171866 (E_RNA)
where:
Base-Base interactions energy: -132.259
where: short stacking energy: -72.132
Base-Backbone interact. energy: 1.409
local terms energy: -78.321213
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -196.923708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.923708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.923708 (E_RNA)
where:
Base-Base interactions energy: -128.142
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.001
local terms energy: -68.780382
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -14.740
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: 101
Temperature: 1.050000
Total energy: -155.152137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.152137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.152137 (E_RNA)
where:
Base-Base interactions energy: -88.276
where: short stacking energy: -43.182
Base-Backbone interact. energy: -0.133
local terms energy: -66.743306
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -11.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -153.520209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.520209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.520209 (E_RNA)
where:
Base-Base interactions energy: -93.131
where: short stacking energy: -40.792
Base-Backbone interact. energy: -0.892
local terms energy: -59.497853
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -108.687988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.687988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.687988 (E_RNA)
where:
Base-Base interactions energy: -48.654
where: short stacking energy: -42.203
Base-Backbone interact. energy: 0.289
local terms energy: -60.323910
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -94.080119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.080119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.080119 (E_RNA)
where:
Base-Base interactions energy: -40.819
where: short stacking energy: -29.468
Base-Backbone interact. energy: 0.815
local terms energy: -54.076101
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -77.439235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.439235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.439235 (E_RNA)
where:
Base-Base interactions energy: -28.010
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.223
local terms energy: -49.205991
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -75.502466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.502466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.502466 (E_RNA)
where:
Base-Base interactions energy: -28.634
where: short stacking energy: -27.502
Base-Backbone interact. energy: -0.022
local terms energy: -46.846264
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -2.781
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: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -75.890307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.890307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.890307 (E_RNA)
where:
Base-Base interactions energy: -33.524
where: short stacking energy: -31.828
Base-Backbone interact. energy: -0.280
local terms energy: -42.086859
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -8.077
flat angles P-C4'-P energy: -10.443
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: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -202.177228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.177228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.177228 (E_RNA)
where:
Base-Base interactions energy: -121.846
where: short stacking energy: -74.539
Base-Backbone interact. energy: -0.001
local terms energy: -80.329538
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -24.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -208.356187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.356187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.356187 (E_RNA)
where:
Base-Base interactions energy: -131.141
where: short stacking energy: -65.827
Base-Backbone interact. energy: -0.269
local terms energy: -76.945658
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -17.923
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: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -185.521486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.521486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.521486 (E_RNA)
where:
Base-Base interactions energy: -115.347
where: short stacking energy: -64.038
Base-Backbone interact. energy: -0.029
local terms energy: -70.145756
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -156.139032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.139032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.139032 (E_RNA)
where:
Base-Base interactions energy: -88.976
where: short stacking energy: -54.564
Base-Backbone interact. energy: -0.180
local terms energy: -66.982921
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -8.253
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: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -164.329520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.329520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.329520 (E_RNA)
where:
Base-Base interactions energy: -104.139
where: short stacking energy: -42.625
Base-Backbone interact. energy: -0.159
local terms energy: -60.030797
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -103.038513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.038513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.038513 (E_RNA)
where:
Base-Base interactions energy: -45.572
where: short stacking energy: -42.211
Base-Backbone interact. energy: 1.757
local terms energy: -59.223855
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -99.951715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.951715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.951715 (E_RNA)
where:
Base-Base interactions energy: -38.853
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.684
local terms energy: -60.415089
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -87.927061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.927061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.927061 (E_RNA)
where:
Base-Base interactions energy: -40.373
where: short stacking energy: -31.621
Base-Backbone interact. energy: -0.123
local terms energy: -47.430352
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -6.875
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: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -82.700453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.700453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.700453 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.056
local terms energy: -49.705750
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -83.614815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.614815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.614815 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -27.895
Base-Backbone interact. energy: -0.029
local terms energy: -46.343985
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -5.615
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -198.056176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.056176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.056176 (E_RNA)
where:
Base-Base interactions energy: -118.865
where: short stacking energy: -69.186
Base-Backbone interact. energy: -1.821
local terms energy: -77.369993
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -205.269395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.269395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.269395 (E_RNA)
where:
Base-Base interactions energy: -127.443
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.015
local terms energy: -77.810464
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -193.541604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.541604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.541604 (E_RNA)
where:
Base-Base interactions energy: -121.647
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.631
local terms energy: -71.263565
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -161.688347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.688347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.688347 (E_RNA)
where:
Base-Base interactions energy: -104.688
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.194
local terms energy: -56.806421
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -8.903
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: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -158.919428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.919428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.919428 (E_RNA)
where:
Base-Base interactions energy: -97.956
where: short stacking energy: -45.267
Base-Backbone interact. energy: -0.031
local terms energy: -60.932064
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -11.358
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: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -107.313082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.313082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.313082 (E_RNA)
where:
Base-Base interactions energy: -44.836
where: short stacking energy: -40.540
Base-Backbone interact. energy: -0.049
local terms energy: -62.428135
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -99.506793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.506793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.506793 (E_RNA)
where:
Base-Base interactions energy: -44.772
where: short stacking energy: -38.452
Base-Backbone interact. energy: -0.548
local terms energy: -54.186693
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -9.133
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -9.480
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: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -81.446620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.446620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.446620 (E_RNA)
where:
Base-Base interactions energy: -33.962
where: short stacking energy: -24.289
Base-Backbone interact. energy: -0.205
local terms energy: -47.279316
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: 2.165
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: 103
Temperature: 1.300000
Total energy: -86.054944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.054944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.054944 (E_RNA)
where:
Base-Base interactions energy: -33.982
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.176
local terms energy: -51.896851
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -78.125091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.125091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.125091 (E_RNA)
where:
Base-Base interactions energy: -29.456
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.069
local terms energy: -48.599706
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -4.601
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: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -209.877869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.877869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.877869 (E_RNA)
where:
Base-Base interactions energy: -141.736
where: short stacking energy: -66.538
Base-Backbone interact. energy: -0.291
local terms energy: -67.850565
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -193.457872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457872 (E_RNA)
where:
Base-Base interactions energy: -116.685
where: short stacking energy: -61.939
Base-Backbone interact. energy: -0.227
local terms energy: -76.545941
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -210.893900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.893900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.893900 (E_RNA)
where:
Base-Base interactions energy: -129.688
where: short stacking energy: -67.724
Base-Backbone interact. energy: -0.003
local terms energy: -81.203440
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -12.956
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: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -179.508243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.508243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.508243 (E_RNA)
where:
Base-Base interactions energy: -119.360
where: short stacking energy: -54.934
Base-Backbone interact. energy: -0.250
local terms energy: -59.898050
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -171.912200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.912200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.912200 (E_RNA)
where:
Base-Base interactions energy: -104.182
where: short stacking energy: -51.229
Base-Backbone interact. energy: -0.112
local terms energy: -67.617945
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -110.038859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.038859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.038859 (E_RNA)
where:
Base-Base interactions energy: -57.329
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.218
local terms energy: -52.491503
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -97.106066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.106066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.106066 (E_RNA)
where:
Base-Base interactions energy: -45.116
where: short stacking energy: -44.526
Base-Backbone interact. energy: -0.001
local terms energy: -51.989432
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -12.610
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: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -86.546947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.546947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.546947 (E_RNA)
where:
Base-Base interactions energy: -38.127
where: short stacking energy: -36.327
Base-Backbone interact. energy: -0.063
local terms energy: -48.357473
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -81.632132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.632132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.632132 (E_RNA)
where:
Base-Base interactions energy: -27.573
where: short stacking energy: -27.573
Base-Backbone interact. energy: -0.386
local terms energy: -53.672398
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -73.347161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.347161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.347161 (E_RNA)
where:
Base-Base interactions energy: -25.661
where: short stacking energy: -21.768
Base-Backbone interact. energy: -0.220
local terms energy: -47.466124
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -0.918
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: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -211.935463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.935463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.935463 (E_RNA)
where:
Base-Base interactions energy: -136.014
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.165
local terms energy: -75.756460
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -20.017
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: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -209.455166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.455166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.455166 (E_RNA)
where:
Base-Base interactions energy: -140.560
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.144
local terms energy: -68.751006
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -17.392
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: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -188.986032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.986032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.986032 (E_RNA)
where:
Base-Base interactions energy: -112.717
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.043
local terms energy: -76.226054
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -180.572953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.572953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.572953 (E_RNA)
where:
Base-Base interactions energy: -113.203
where: short stacking energy: -51.002
Base-Backbone interact. energy: 0.263
local terms energy: -67.632808
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -160.039908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.039908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.039908 (E_RNA)
where:
Base-Base interactions energy: -96.310
where: short stacking energy: -46.588
Base-Backbone interact. energy: -1.021
local terms energy: -62.708999
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -12.191
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: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -99.149018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.149018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.149018 (E_RNA)
where:
Base-Base interactions energy: -39.004
where: short stacking energy: -35.622
Base-Backbone interact. energy: -0.106
local terms energy: -60.038766
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -105.726499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.726499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.726499 (E_RNA)
where:
Base-Base interactions energy: -49.475
where: short stacking energy: -45.895
Base-Backbone interact. energy: 0.760
local terms energy: -57.011263
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -89.503172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.503172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.503172 (E_RNA)
where:
Base-Base interactions energy: -34.026
where: short stacking energy: -34.026
Base-Backbone interact. energy: -0.149
local terms energy: -55.328027
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -6.449
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: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -77.509944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.509944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.509944 (E_RNA)
where:
Base-Base interactions energy: -30.550
where: short stacking energy: -30.550
Base-Backbone interact. energy: -0.022
local terms energy: -46.937662
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -4.851
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -71.108141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.108141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.108141 (E_RNA)
where:
Base-Base interactions energy: -33.853
where: short stacking energy: -21.885
Base-Backbone interact. energy: 1.428
local terms energy: -38.682979
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: 1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -209.730412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.730412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.730412 (E_RNA)
where:
Base-Base interactions energy: -134.452
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.003
local terms energy: -75.274819
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -213.769013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.769013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.769013 (E_RNA)
where:
Base-Base interactions energy: -131.111
where: short stacking energy: -76.176
Base-Backbone interact. energy: -0.667
local terms energy: -81.990591
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -24.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -186.726341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.726341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.726341 (E_RNA)
where:
Base-Base interactions energy: -125.792
where: short stacking energy: -58.450
Base-Backbone interact. energy: -0.069
local terms energy: -60.864990
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -184.053637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.053637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.053637 (E_RNA)
where:
Base-Base interactions energy: -110.638
where: short stacking energy: -64.151
Base-Backbone interact. energy: -1.359
local terms energy: -72.056598
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -167.976951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.976951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.976951 (E_RNA)
where:
Base-Base interactions energy: -101.517
where: short stacking energy: -44.419
Base-Backbone interact. energy: -0.025
local terms energy: -66.435195
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -110.333981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.333981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.333981 (E_RNA)
where:
Base-Base interactions energy: -50.194
where: short stacking energy: -49.785
Base-Backbone interact. energy: -0.345
local terms energy: -59.794946
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -7.601
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: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -87.964910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.964910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.964910 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -38.659
Base-Backbone interact. energy: -0.031
local terms energy: -49.250121
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -2.967
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -94.847606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.847606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.847606 (E_RNA)
where:
Base-Base interactions energy: -31.840
where: short stacking energy: -28.391
Base-Backbone interact. energy: -0.187
local terms energy: -62.820478
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -78.624459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.624459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.624459 (E_RNA)
where:
Base-Base interactions energy: -36.741
where: short stacking energy: -25.400
Base-Backbone interact. energy: -0.206
local terms energy: -41.677094
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -78.812216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.812216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.812216 (E_RNA)
where:
Base-Base interactions energy: -19.877
where: short stacking energy: -17.939
Base-Backbone interact. energy: -0.266
local terms energy: -58.668791
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -217.089992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.089992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.089992 (E_RNA)
where:
Base-Base interactions energy: -140.634
where: short stacking energy: -74.302
Base-Backbone interact. energy: -0.097
local terms energy: -76.359935
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -204.037311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.037311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.037311 (E_RNA)
where:
Base-Base interactions energy: -123.658
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.729
local terms energy: -79.650197
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -20.208
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: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -177.328166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.328166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.328166 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -53.822
Base-Backbone interact. energy: -0.158
local terms energy: -55.103173
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -183.567905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.567905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.567905 (E_RNA)
where:
Base-Base interactions energy: -119.331
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.102
local terms energy: -64.135704
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -177.357813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.357813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.357813 (E_RNA)
where:
Base-Base interactions energy: -111.237
where: short stacking energy: -58.679
Base-Backbone interact. energy: -0.035
local terms energy: -66.086343
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -114.785377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.785377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.785377 (E_RNA)
where:
Base-Base interactions energy: -51.147
where: short stacking energy: -51.147
Base-Backbone interact. energy: -0.005
local terms energy: -63.632815
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -111.940233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.940233 (E_RNA)
where:
Base-Base interactions energy: -51.209
where: short stacking energy: -47.422
Base-Backbone interact. energy: -0.192
local terms energy: -60.538935
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -90.515720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.515720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.515720 (E_RNA)
where:
Base-Base interactions energy: -27.293
where: short stacking energy: -26.141
Base-Backbone interact. energy: -1.089
local terms energy: -62.133496
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -8.684
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: 107
Temperature: 1.300000
Total energy: -80.018175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018175 (E_RNA)
where:
Base-Base interactions energy: -28.510
where: short stacking energy: -28.510
Base-Backbone interact. energy: -0.116
local terms energy: -51.392133
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -76.608450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.608450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.608450 (E_RNA)
where:
Base-Base interactions energy: -29.907
where: short stacking energy: -21.443
Base-Backbone interact. energy: -0.723
local terms energy: -45.978517
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -4.748
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: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -216.594701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.594701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.594701 (E_RNA)
where:
Base-Base interactions energy: -137.288
where: short stacking energy: -70.619
Base-Backbone interact. energy: -0.593
local terms energy: -78.714363
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -200.173898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.173898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.173898 (E_RNA)
where:
Base-Base interactions energy: -118.995
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.031
local terms energy: -81.147806
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -174.470247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.470247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.470247 (E_RNA)
where:
Base-Base interactions energy: -105.809
where: short stacking energy: -56.835
Base-Backbone interact. energy: -0.114
local terms energy: -68.547002
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.080
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: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -182.979021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.979021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.979021 (E_RNA)
where:
Base-Base interactions energy: -119.549
where: short stacking energy: -52.898
Base-Backbone interact. energy: -0.240
local terms energy: -63.190127
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -180.771252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.771252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.771252 (E_RNA)
where:
Base-Base interactions energy: -116.989
where: short stacking energy: -65.293
Base-Backbone interact. energy: 1.911
local terms energy: -65.693240
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -90.935439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.935439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.935439 (E_RNA)
where:
Base-Base interactions energy: -40.704
where: short stacking energy: -38.353
Base-Backbone interact. energy: -0.082
local terms energy: -50.149294
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -95.870715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.870715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.870715 (E_RNA)
where:
Base-Base interactions energy: -30.289
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.000
local terms energy: -65.581841
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -77.339210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.339210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.339210 (E_RNA)
where:
Base-Base interactions energy: -21.252
where: short stacking energy: -21.252
Base-Backbone interact. energy: -0.087
local terms energy: -56.000308
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -12.060
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: 9, replica: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -81.934610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.934610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.934610 (E_RNA)
where:
Base-Base interactions energy: -32.994
where: short stacking energy: -32.994
Base-Backbone interact. energy: -0.430
local terms energy: -48.510120
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -74.298386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.298386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.298386 (E_RNA)
where:
Base-Base interactions energy: -31.655
where: short stacking energy: -26.695
Base-Backbone interact. energy: -0.143
local terms energy: -42.500326
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -3.356
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -216.939056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.939056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.939056 (E_RNA)
where:
Base-Base interactions energy: -140.334
where: short stacking energy: -79.080
Base-Backbone interact. energy: -0.560
local terms energy: -76.045511
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -205.437972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.437972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.437972 (E_RNA)
where:
Base-Base interactions energy: -131.709
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.132
local terms energy: -73.596380
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -11.766
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: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -171.993352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.993352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.993352 (E_RNA)
where:
Base-Base interactions energy: -104.467
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.132
local terms energy: -67.395269
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -182.969941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.969941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.969941 (E_RNA)
where:
Base-Base interactions energy: -112.390
where: short stacking energy: -65.239
Base-Backbone interact. energy: -0.043
local terms energy: -70.536917
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -191.187063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.187063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.187063 (E_RNA)
where:
Base-Base interactions energy: -134.822
where: short stacking energy: -54.079
Base-Backbone interact. energy: -1.066
local terms energy: -55.298934
where:
bonds (distance) C4'-P energy: -8.036
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -120.816868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.816868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.816868 (E_RNA)
where:
Base-Base interactions energy: -55.047
where: short stacking energy: -55.047
Base-Backbone interact. energy: -0.832
local terms energy: -64.938248
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -12.872
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: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -88.737115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.737115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.737115 (E_RNA)
where:
Base-Base interactions energy: -35.755
where: short stacking energy: -35.304
Base-Backbone interact. energy: -0.281
local terms energy: -52.701673
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -89.882566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.882566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.882566 (E_RNA)
where:
Base-Base interactions energy: -44.137
where: short stacking energy: -34.381
Base-Backbone interact. energy: -0.520
local terms energy: -45.225591
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -8.074
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -86.094961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.094961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.094961 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -27.231
Base-Backbone interact. energy: 1.225
local terms energy: -55.763635
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -70.007429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.007429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.007429 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -25.576
Base-Backbone interact. energy: -0.864
local terms energy: -39.017267
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -211.485490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.485490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.485490 (E_RNA)
where:
Base-Base interactions energy: -136.409
where: short stacking energy: -69.058
Base-Backbone interact. energy: -0.013
local terms energy: -75.063738
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -209.793166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.793166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.793166 (E_RNA)
where:
Base-Base interactions energy: -130.816
where: short stacking energy: -72.420
Base-Backbone interact. energy: -1.499
local terms energy: -77.478134
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -22.264
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: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -185.795134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.795134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.795134 (E_RNA)
where:
Base-Base interactions energy: -121.599
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.006
local terms energy: -64.189722
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -15.579
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: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -179.852913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.852913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.852913 (E_RNA)
where:
Base-Base interactions energy: -110.884
where: short stacking energy: -52.880
Base-Backbone interact. energy: -0.109
local terms energy: -68.859586
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -17.517
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: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -95.574965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.574965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.574965 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -38.329
Base-Backbone interact. energy: -0.099
local terms energy: -54.807658
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -8.035
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: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -165.990294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.990294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.990294 (E_RNA)
where:
Base-Base interactions energy: -110.136
where: short stacking energy: -43.980
Base-Backbone interact. energy: -0.379
local terms energy: -55.475723
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -6.919
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: 110
Temperature: 1.200000
Total energy: -96.626990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.626990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.626990 (E_RNA)
where:
Base-Base interactions energy: -40.522
where: short stacking energy: -40.522
Base-Backbone interact. energy: -0.002
local terms energy: -56.103806
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -91.597731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.597731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.597731 (E_RNA)
where:
Base-Base interactions energy: -42.121
where: short stacking energy: -38.701
Base-Backbone interact. energy: -0.019
local terms energy: -49.457738
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -2.759
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: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -95.251960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.251960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.251960 (E_RNA)
where:
Base-Base interactions energy: -51.742
where: short stacking energy: -38.804
Base-Backbone interact. energy: 2.936
local terms energy: -46.446452
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -77.991449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.991449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.991449 (E_RNA)
where:
Base-Base interactions energy: -28.659
where: short stacking energy: -23.628
Base-Backbone interact. energy: -0.939
local terms energy: -48.393086
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -1.528
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: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -197.807748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.807748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.807748 (E_RNA)
where:
Base-Base interactions energy: -127.204
where: short stacking energy: -64.027
Base-Backbone interact. energy: -0.111
local terms energy: -70.492628
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -192.528272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.528272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.528272 (E_RNA)
where:
Base-Base interactions energy: -118.930
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.008
local terms energy: -73.590552
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -11.652
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: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -214.912664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.912664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.912664 (E_RNA)
where:
Base-Base interactions energy: -136.371
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.045
local terms energy: -78.495936
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -20.870
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: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -184.549466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.549466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.549466 (E_RNA)
where:
Base-Base interactions energy: -117.111
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.878
local terms energy: -66.560588
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -105.605660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.605660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.605660 (E_RNA)
where:
Base-Base interactions energy: -42.622
where: short stacking energy: -38.028
Base-Backbone interact. energy: -0.098
local terms energy: -62.886570
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -152.018405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.018405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.018405 (E_RNA)
where:
Base-Base interactions energy: -86.947
where: short stacking energy: -36.698
Base-Backbone interact. energy: -1.676
local terms energy: -63.394941
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -94.354979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.354979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.354979 (E_RNA)
where:
Base-Base interactions energy: -34.775
where: short stacking energy: -33.407
Base-Backbone interact. energy: -0.001
local terms energy: -59.578977
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -6.731
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: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -94.175245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.175245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.175245 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -27.353
Base-Backbone interact. energy: -0.015
local terms energy: -53.505883
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -2.264
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -83.220307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.220307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.220307 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -31.748
Base-Backbone interact. energy: 1.213
local terms energy: -45.355149
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -83.392031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.392031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.392031 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -25.532
Base-Backbone interact. energy: -0.476
local terms energy: -49.434945
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: 2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -205.214712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.214712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.214712 (E_RNA)
where:
Base-Base interactions energy: -124.730
where: short stacking energy: -67.237
Base-Backbone interact. energy: -2.344
local terms energy: -78.141094
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -167.356319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.356319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.356319 (E_RNA)
where:
Base-Base interactions energy: -106.913
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.169
local terms energy: -60.274053
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -194.491351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.491351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.491351 (E_RNA)
where:
Base-Base interactions energy: -127.533
where: short stacking energy: -54.564
Base-Backbone interact. energy: -0.405
local terms energy: -66.554092
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -165.208665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.208665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.208665 (E_RNA)
where:
Base-Base interactions energy: -103.774
where: short stacking energy: -54.979
Base-Backbone interact. energy: 0.412
local terms energy: -61.846507
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -13.370
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: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -143.563360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.563360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.563360 (E_RNA)
where:
Base-Base interactions energy: -79.900
where: short stacking energy: -43.959
Base-Backbone interact. energy: -0.472
local terms energy: -63.191532
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -96.694014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.694014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.694014 (E_RNA)
where:
Base-Base interactions energy: -40.200
where: short stacking energy: -39.368
Base-Backbone interact. energy: -0.023
local terms energy: -56.470591
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -88.603784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.603784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.603784 (E_RNA)
where:
Base-Base interactions energy: -40.544
where: short stacking energy: -32.741
Base-Backbone interact. energy: 0.824
local terms energy: -48.884324
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -0.926
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: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -93.267203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.267203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.267203 (E_RNA)
where:
Base-Base interactions energy: -41.147
where: short stacking energy: -40.123
Base-Backbone interact. energy: -0.008
local terms energy: -52.112756
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -88.984511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.984511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.984511 (E_RNA)
where:
Base-Base interactions energy: -38.218
where: short stacking energy: -36.434
Base-Backbone interact. energy: -0.065
local terms energy: -50.702077
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -80.707192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.707192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.707192 (E_RNA)
where:
Base-Base interactions energy: -28.687
where: short stacking energy: -25.861
Base-Backbone interact. energy: -0.546
local terms energy: -51.475061
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -202.040961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.040961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.040961 (E_RNA)
where:
Base-Base interactions energy: -126.165
where: short stacking energy: -68.940
Base-Backbone interact. energy: -0.261
local terms energy: -75.615186
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -182.487804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.487804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.487804 (E_RNA)
where:
Base-Base interactions energy: -103.096
where: short stacking energy: -56.761
Base-Backbone interact. energy: -1.275
local terms energy: -78.117350
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -11.979
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: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -171.013186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.013186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.013186 (E_RNA)
where:
Base-Base interactions energy: -107.636
where: short stacking energy: -42.463
Base-Backbone interact. energy: -0.786
local terms energy: -62.590917
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -174.578579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.578579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.578579 (E_RNA)
where:
Base-Base interactions energy: -105.837
where: short stacking energy: -61.734
Base-Backbone interact. energy: -0.030
local terms energy: -68.710765
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -8.691
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: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -176.789004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.789004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.789004 (E_RNA)
where:
Base-Base interactions energy: -109.136
where: short stacking energy: -52.580
Base-Backbone interact. energy: -1.587
local terms energy: -66.065384
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -12.360
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: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -97.995580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.995580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.995580 (E_RNA)
where:
Base-Base interactions energy: -39.291
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.586
local terms energy: -58.118270
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -5.939
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: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -93.535066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.535066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.535066 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -38.629
Base-Backbone interact. energy: -0.142
local terms energy: -54.763156
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -9.481
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: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -92.208485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.208485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.208485 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -37.436
Base-Backbone interact. energy: -0.073
local terms energy: -54.448392
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -7.482
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: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -76.433947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.433947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.433947 (E_RNA)
where:
Base-Base interactions energy: -27.759
where: short stacking energy: -17.986
Base-Backbone interact. energy: -0.220
local terms energy: -48.454925
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -1.251
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: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -69.797308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.797308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.797308 (E_RNA)
where:
Base-Base interactions energy: -24.199
where: short stacking energy: -20.031
Base-Backbone interact. energy: -0.242
local terms energy: -45.355450
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -5.117
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -4.423
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: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -199.521899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.521899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.521899 (E_RNA)
where:
Base-Base interactions energy: -122.489
where: short stacking energy: -68.166
Base-Backbone interact. energy: -0.015
local terms energy: -77.017927
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -16.866
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: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -184.571969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.571969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.571969 (E_RNA)
where:
Base-Base interactions energy: -112.647
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.171
local terms energy: -71.754053
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -172.752462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.752462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.752462 (E_RNA)
where:
Base-Base interactions energy: -103.868
where: short stacking energy: -49.263
Base-Backbone interact. energy: -0.377
local terms energy: -68.508387
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -183.426735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.426735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.426735 (E_RNA)
where:
Base-Base interactions energy: -113.463
where: short stacking energy: -67.703
Base-Backbone interact. energy: -0.020
local terms energy: -69.943551
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -14.839
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: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -160.566826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.566826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.566826 (E_RNA)
where:
Base-Base interactions energy: -92.650
where: short stacking energy: -54.562
Base-Backbone interact. energy: -0.284
local terms energy: -67.632620
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -7.033
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: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -111.998822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.998822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.998822 (E_RNA)
where:
Base-Base interactions energy: -50.491
where: short stacking energy: -43.087
Base-Backbone interact. energy: -0.577
local terms energy: -60.930810
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -10.677
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: 114
Temperature: 1.200000
Total energy: -113.484763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.484763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.484763 (E_RNA)
where:
Base-Base interactions energy: -59.781
where: short stacking energy: -38.264
Base-Backbone interact. energy: -0.803
local terms energy: -52.901141
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -10.199
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: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -82.347122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.347122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.347122 (E_RNA)
where:
Base-Base interactions energy: -22.259
where: short stacking energy: -22.259
Base-Backbone interact. energy: -0.101
local terms energy: -59.987441
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -0.113
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: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -98.869702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.869702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.869702 (E_RNA)
where:
Base-Base interactions energy: -41.552
where: short stacking energy: -35.952
Base-Backbone interact. energy: -0.006
local terms energy: -57.312050
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -6.596
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: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -90.180000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.180000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.180000 (E_RNA)
where:
Base-Base interactions energy: -38.357
where: short stacking energy: -34.661
Base-Backbone interact. energy: 1.650
local terms energy: -53.473318
where:
bonds (distance) C4'-P energy: -8.126
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -2.106
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: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -197.775320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.775320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.775320 (E_RNA)
where:
Base-Base interactions energy: -118.001
where: short stacking energy: -72.209
Base-Backbone interact. energy: -0.015
local terms energy: -79.758667
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -19.409
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: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -198.351044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.351044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.351044 (E_RNA)
where:
Base-Base interactions energy: -126.813
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.829
local terms energy: -70.708532
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -169.426048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.426048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.426048 (E_RNA)
where:
Base-Base interactions energy: -94.754
where: short stacking energy: -57.419
Base-Backbone interact. energy: -0.033
local terms energy: -74.639092
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -166.618027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.618027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.618027 (E_RNA)
where:
Base-Base interactions energy: -95.158
where: short stacking energy: -51.990
Base-Backbone interact. energy: -0.057
local terms energy: -71.403208
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -16.110
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: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -177.160489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.160489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.160489 (E_RNA)
where:
Base-Base interactions energy: -106.890
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.773
local terms energy: -69.496829
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -15.952
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: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -99.976821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.976821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.976821 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -30.602
Base-Backbone interact. energy: -0.631
local terms energy: -58.373207
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -8.034
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -95.901268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.901268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.901268 (E_RNA)
where:
Base-Base interactions energy: -52.697
where: short stacking energy: -29.920
Base-Backbone interact. energy: -0.670
local terms energy: -42.534738
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -97.285317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.285317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.285317 (E_RNA)
where:
Base-Base interactions energy: -47.199
where: short stacking energy: -38.988
Base-Backbone interact. energy: -1.196
local terms energy: -48.889994
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -76.283104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.283104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.283104 (E_RNA)
where:
Base-Base interactions energy: -31.255
where: short stacking energy: -22.296
Base-Backbone interact. energy: -1.142
local terms energy: -43.885842
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -8.135
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: 0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -92.195490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.195490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.195490 (E_RNA)
where:
Base-Base interactions energy: -47.881
where: short stacking energy: -37.509
Base-Backbone interact. energy: 1.676
local terms energy: -45.990662
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -8.021
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -201.101477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.101477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.101477 (E_RNA)
where:
Base-Base interactions energy: -137.044
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.306
local terms energy: -63.750889
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -201.429522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.429522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.429522 (E_RNA)
where:
Base-Base interactions energy: -126.674
where: short stacking energy: -62.949
Base-Backbone interact. energy: -0.678
local terms energy: -74.077494
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -200.674126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.674126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.674126 (E_RNA)
where:
Base-Base interactions energy: -120.384
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.486
local terms energy: -79.803588
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -156.170204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.170204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.170204 (E_RNA)
where:
Base-Base interactions energy: -102.685
where: short stacking energy: -48.466
Base-Backbone interact. energy: -0.684
local terms energy: -52.800827
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -161.593954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.593954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.593954 (E_RNA)
where:
Base-Base interactions energy: -107.543
where: short stacking energy: -55.404
Base-Backbone interact. energy: -0.047
local terms energy: -54.004175
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -103.668385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.668385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.668385 (E_RNA)
where:
Base-Base interactions energy: -50.907
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.111
local terms energy: -52.650788
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.260
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: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -91.706999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.706999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.706999 (E_RNA)
where:
Base-Base interactions energy: -46.426
where: short stacking energy: -20.906
Base-Backbone interact. energy: -0.201
local terms energy: -45.080571
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: 3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -120.745947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.745947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.745947 (E_RNA)
where:
Base-Base interactions energy: -70.182
where: short stacking energy: -41.892
Base-Backbone interact. energy: -1.096
local terms energy: -49.468247
where:
bonds (distance) C4'-P energy: -6.638
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.138
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: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -82.429229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.429229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.429229 (E_RNA)
where:
Base-Base interactions energy: -30.645
where: short stacking energy: -23.657
Base-Backbone interact. energy: -0.103
local terms energy: -51.681005
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -1.311
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: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -84.646704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.646704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.646704 (E_RNA)
where:
Base-Base interactions energy: -38.853
where: short stacking energy: -33.622
Base-Backbone interact. energy: -0.356
local terms energy: -45.438099
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: 0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -202.613191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.613191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.613191 (E_RNA)
where:
Base-Base interactions energy: -134.166
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.004
local terms energy: -68.443261
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -8.915
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: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -206.641268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.641268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.641268 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -73.007
Base-Backbone interact. energy: -0.005
local terms energy: -85.723853
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -184.951048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.951048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.951048 (E_RNA)
where:
Base-Base interactions energy: -109.873
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.045
local terms energy: -75.032622
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -161.524280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.524280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.524280 (E_RNA)
where:
Base-Base interactions energy: -98.834
where: short stacking energy: -52.596
Base-Backbone interact. energy: -0.226
local terms energy: -62.464130
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -161.569107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.569107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.569107 (E_RNA)
where:
Base-Base interactions energy: -102.122
where: short stacking energy: -51.895
Base-Backbone interact. energy: 2.701
local terms energy: -62.147696
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -102.240799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.240799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.240799 (E_RNA)
where:
Base-Base interactions energy: -42.969
where: short stacking energy: -42.694
Base-Backbone interact. energy: -0.117
local terms energy: -59.155627
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -11.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -88.578494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578494 (E_RNA)
where:
Base-Base interactions energy: -31.260
where: short stacking energy: -31.158
Base-Backbone interact. energy: -0.073
local terms energy: -57.245753
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -93.379199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.379199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.379199 (E_RNA)
where:
Base-Base interactions energy: -38.279
where: short stacking energy: -34.511
Base-Backbone interact. energy: 0.037
local terms energy: -55.137742
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -6.711
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: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -84.664637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.664637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.664637 (E_RNA)
where:
Base-Base interactions energy: -43.819
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.124
local terms energy: -40.720952
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -83.188090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.188090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.188090 (E_RNA)
where:
Base-Base interactions energy: -31.828
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.194
local terms energy: -51.166525
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -4.361
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: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -197.121149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.121149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.121149 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -50.021
Base-Backbone interact. energy: 0.608
local terms energy: -66.390618
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -205.734069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.734069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.734069 (E_RNA)
where:
Base-Base interactions energy: -131.922
where: short stacking energy: -67.635
Base-Backbone interact. energy: -0.089
local terms energy: -73.722458
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -197.102529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.102529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.102529 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.006
local terms energy: -71.725666
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -164.100079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.100079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.100079 (E_RNA)
where:
Base-Base interactions energy: -111.075
where: short stacking energy: -49.775
Base-Backbone interact. energy: -0.174
local terms energy: -52.851373
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -7.231
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: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -157.777680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.777680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.777680 (E_RNA)
where:
Base-Base interactions energy: -97.875
where: short stacking energy: -49.632
Base-Backbone interact. energy: -0.390
local terms energy: -59.512168
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -10.388
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: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -96.407780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.407780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.407780 (E_RNA)
where:
Base-Base interactions energy: -45.323
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.252
local terms energy: -50.833121
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -1.590
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: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -93.319480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.319480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.319480 (E_RNA)
where:
Base-Base interactions energy: -40.436
where: short stacking energy: -40.436
Base-Backbone interact. energy: -0.008
local terms energy: -52.874679
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -93.711074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.711074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.711074 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -32.489
Base-Backbone interact. energy: -0.106
local terms energy: -57.300400
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -7.601
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: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -86.233254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233254 (E_RNA)
where:
Base-Base interactions energy: -37.238
where: short stacking energy: -33.716
Base-Backbone interact. energy: 0.758
local terms energy: -49.753323
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -5.266
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: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -77.676866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.676866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.676866 (E_RNA)
where:
Base-Base interactions energy: -27.705
where: short stacking energy: -25.115
Base-Backbone interact. energy: 0.834
local terms energy: -50.805422
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -204.002246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.002246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.002246 (E_RNA)
where:
Base-Base interactions energy: -130.652
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.148
local terms energy: -73.202561
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -198.150309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.150309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.150309 (E_RNA)
where:
Base-Base interactions energy: -118.425
where: short stacking energy: -72.292
Base-Backbone interact. energy: -1.017
local terms energy: -78.708003
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -21.669
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: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -200.134630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.134630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.134630 (E_RNA)
where:
Base-Base interactions energy: -132.021
where: short stacking energy: -69.175
Base-Backbone interact. energy: -0.009
local terms energy: -68.104419
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -179.914321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.914321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.914321 (E_RNA)
where:
Base-Base interactions energy: -110.988
where: short stacking energy: -61.165
Base-Backbone interact. energy: -0.602
local terms energy: -68.324847
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -148.683273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.683273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.683273 (E_RNA)
where:
Base-Base interactions energy: -87.971
where: short stacking energy: -54.203
Base-Backbone interact. energy: -0.028
local terms energy: -60.683962
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -12.392
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: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -112.168538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.168538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.168538 (E_RNA)
where:
Base-Base interactions energy: -58.637
where: short stacking energy: -33.224
Base-Backbone interact. energy: -0.021
local terms energy: -53.510347
where:
bonds (distance) C4'-P energy: -8.611
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -10.902
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: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -104.063596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.063596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.063596 (E_RNA)
where:
Base-Base interactions energy: -54.648
where: short stacking energy: -40.216
Base-Backbone interact. energy: -0.152
local terms energy: -49.263402
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -6.960
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -83.244187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244187 (E_RNA)
where:
Base-Base interactions energy: -30.384
where: short stacking energy: -27.109
Base-Backbone interact. energy: 2.901
local terms energy: -55.760783
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -80.849802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.849802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.849802 (E_RNA)
where:
Base-Base interactions energy: -22.682
where: short stacking energy: -22.782
Base-Backbone interact. energy: 0.189
local terms energy: -58.356633
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -78.058247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.058247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.058247 (E_RNA)
where:
Base-Base interactions energy: -28.866
where: short stacking energy: -26.202
Base-Backbone interact. energy: -0.010
local terms energy: -49.182551
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -201.252082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.252082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.252082 (E_RNA)
where:
Base-Base interactions energy: -124.260
where: short stacking energy: -69.773
Base-Backbone interact. energy: -2.088
local terms energy: -74.903454
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.674
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: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -198.374323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.374323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.374323 (E_RNA)
where:
Base-Base interactions energy: -131.145
where: short stacking energy: -72.903
Base-Backbone interact. energy: -0.255
local terms energy: -66.974171
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -14.086
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: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -195.566351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.566351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.566351 (E_RNA)
where:
Base-Base interactions energy: -126.455
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.060
local terms energy: -69.051207
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.035
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: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -171.295642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.295642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.295642 (E_RNA)
where:
Base-Base interactions energy: -102.507
where: short stacking energy: -52.826
Base-Backbone interact. energy: -1.367
local terms energy: -67.421613
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -131.861212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.861212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.861212 (E_RNA)
where:
Base-Base interactions energy: -77.102
where: short stacking energy: -43.786
Base-Backbone interact. energy: -0.056
local terms energy: -54.702560
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -8.151
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: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -112.748841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.748841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.748841 (E_RNA)
where:
Base-Base interactions energy: -56.311
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.842
local terms energy: -55.596118
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -93.761285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.761285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.761285 (E_RNA)
where:
Base-Base interactions energy: -44.935
where: short stacking energy: -43.447
Base-Backbone interact. energy: 0.049
local terms energy: -48.875348
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -88.866004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.866004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.866004 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -27.102
Base-Backbone interact. energy: -0.669
local terms energy: -51.905964
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -79.536623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.536623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.536623 (E_RNA)
where:
Base-Base interactions energy: -29.705
where: short stacking energy: -27.495
Base-Backbone interact. energy: -0.138
local terms energy: -49.693938
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -76.499111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.499111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.499111 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -28.127
Base-Backbone interact. energy: -0.374
local terms energy: -44.333895
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -8.124
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -194.501926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.501926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.501926 (E_RNA)
where:
Base-Base interactions energy: -120.967
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.055
local terms energy: -73.479449
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -197.481750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.481750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.481750 (E_RNA)
where:
Base-Base interactions energy: -120.672
where: short stacking energy: -66.818
Base-Backbone interact. energy: -0.004
local terms energy: -76.805909
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -189.620060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.620060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.620060 (E_RNA)
where:
Base-Base interactions energy: -117.835
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.768
local terms energy: -71.016533
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -182.921797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.921797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.921797 (E_RNA)
where:
Base-Base interactions energy: -106.939
where: short stacking energy: -65.641
Base-Backbone interact. energy: -0.618
local terms energy: -75.364329
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -10.573
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: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -154.195045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.195045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.195045 (E_RNA)
where:
Base-Base interactions energy: -93.779
where: short stacking energy: -57.865
Base-Backbone interact. energy: 0.049
local terms energy: -60.465083
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -125.693414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.693414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.693414 (E_RNA)
where:
Base-Base interactions energy: -65.505
where: short stacking energy: -44.328
Base-Backbone interact. energy: -0.377
local terms energy: -59.810755
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -98.146086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.146086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.146086 (E_RNA)
where:
Base-Base interactions energy: -40.776
where: short stacking energy: -35.736
Base-Backbone interact. energy: -0.088
local terms energy: -57.281557
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -4.454
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: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -88.742836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.742836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.742836 (E_RNA)
where:
Base-Base interactions energy: -27.410
where: short stacking energy: -27.321
Base-Backbone interact. energy: -0.451
local terms energy: -60.881215
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -82.192457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.192457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.192457 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -31.665
Base-Backbone interact. energy: -0.484
local terms energy: -50.379099
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -91.419451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.419451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.419451 (E_RNA)
where:
Base-Base interactions energy: -35.326
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.004
local terms energy: -56.088649
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -199.591783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.591783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.591783 (E_RNA)
where:
Base-Base interactions energy: -126.678
where: short stacking energy: -69.267
Base-Backbone interact. energy: -0.001
local terms energy: -72.912829
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -20.009
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: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -198.404045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.404045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.404045 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -63.675
Base-Backbone interact. energy: -0.017
local terms energy: -74.426377
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -14.058
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: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -182.196941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.196941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.196941 (E_RNA)
where:
Base-Base interactions energy: -116.532
where: short stacking energy: -47.371
Base-Backbone interact. energy: -0.329
local terms energy: -65.335549
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -173.895201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.895201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.895201 (E_RNA)
where:
Base-Base interactions energy: -108.931
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.697
local terms energy: -64.267669
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -127.422391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.422391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.422391 (E_RNA)
where:
Base-Base interactions energy: -67.929
where: short stacking energy: -40.296
Base-Backbone interact. energy: 0.348
local terms energy: -59.841117
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -8.145
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: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -121.813367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.813367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.813367 (E_RNA)
where:
Base-Base interactions energy: -57.359
where: short stacking energy: -46.808
Base-Backbone interact. energy: -0.136
local terms energy: -64.318457
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -9.776
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: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -94.189305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.189305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.189305 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -33.744
Base-Backbone interact. energy: -0.193
local terms energy: -57.054512
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -93.628760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.628760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.628760 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -34.122
Base-Backbone interact. energy: -0.010
local terms energy: -54.472480
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -9.207
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: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -86.631843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.631843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.631843 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -29.355
Base-Backbone interact. energy: -0.320
local terms energy: -53.080289
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -73.964573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.964573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.964573 (E_RNA)
where:
Base-Base interactions energy: -24.883
where: short stacking energy: -21.687
Base-Backbone interact. energy: -1.372
local terms energy: -47.709471
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -9.584
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: 2.001
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: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -192.973178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.973178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.973178 (E_RNA)
where:
Base-Base interactions energy: -115.435
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.698
local terms energy: -76.839454
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -184.937949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.937949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.937949 (E_RNA)
where:
Base-Base interactions energy: -119.263
where: short stacking energy: -55.790
Base-Backbone interact. energy: -1.688
local terms energy: -63.986688
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -183.857707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.857707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.857707 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -56.806
Base-Backbone interact. energy: -1.805
local terms energy: -70.463992
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -15.365
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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -159.053630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.053630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.053630 (E_RNA)
where:
Base-Base interactions energy: -96.063
where: short stacking energy: -45.739
Base-Backbone interact. energy: -0.142
local terms energy: -62.847871
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -149.818871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.818871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.818871 (E_RNA)
where:
Base-Base interactions energy: -87.932
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.298
local terms energy: -61.589080
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -101.279979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.279979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.279979 (E_RNA)
where:
Base-Base interactions energy: -43.349
where: short stacking energy: -43.349
Base-Backbone interact. energy: -0.095
local terms energy: -57.836024
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -95.087547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.087547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.087547 (E_RNA)
where:
Base-Base interactions energy: -40.509
where: short stacking energy: -39.155
Base-Backbone interact. energy: -0.006
local terms energy: -54.572894
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -94.530893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.530893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.530893 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -38.513
Base-Backbone interact. energy: -0.011
local terms energy: -56.006803
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -79.355904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.355904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.355904 (E_RNA)
where:
Base-Base interactions energy: -34.491
where: short stacking energy: -18.641
Base-Backbone interact. energy: -0.179
local terms energy: -44.684991
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -1.646
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: 123
Temperature: 1.350000
Total energy: -83.379899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.379899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.379899 (E_RNA)
where:
Base-Base interactions energy: -30.972
where: short stacking energy: -29.332
Base-Backbone interact. energy: 0.467
local terms energy: -52.874431
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -5.339
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -198.279708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.279708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.279708 (E_RNA)
where:
Base-Base interactions energy: -121.365
where: short stacking energy: -77.468
Base-Backbone interact. energy: -0.277
local terms energy: -76.638250
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -198.377132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.377132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.377132 (E_RNA)
where:
Base-Base interactions energy: -122.848
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.001
local terms energy: -75.528818
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -177.216116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.216116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.216116 (E_RNA)
where:
Base-Base interactions energy: -109.056
where: short stacking energy: -48.398
Base-Backbone interact. energy: -0.652
local terms energy: -67.508311
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -166.204259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.204259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.204259 (E_RNA)
where:
Base-Base interactions energy: -98.513
where: short stacking energy: -53.079
Base-Backbone interact. energy: -0.365
local terms energy: -67.325376
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -9.965
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: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -103.053808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.053808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.053808 (E_RNA)
where:
Base-Base interactions energy: -44.200
where: short stacking energy: -44.200
Base-Backbone interact. energy: -0.101
local terms energy: -58.752294
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -133.699572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.699572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.699572 (E_RNA)
where:
Base-Base interactions energy: -71.351
where: short stacking energy: -33.932
Base-Backbone interact. energy: -0.575
local terms energy: -61.773979
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -85.649857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.649857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.649857 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -36.542
Base-Backbone interact. energy: 0.775
local terms energy: -47.989291
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -12.721
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: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -86.235040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.235040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.235040 (E_RNA)
where:
Base-Base interactions energy: -37.441
where: short stacking energy: -22.104
Base-Backbone interact. energy: -0.092
local terms energy: -48.702250
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -86.013448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.013448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.013448 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -24.530
Base-Backbone interact. energy: 0.153
local terms energy: -56.488567
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -8.280
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -95.381617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.381617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.381617 (E_RNA)
where:
Base-Base interactions energy: -44.825
where: short stacking energy: -40.263
Base-Backbone interact. energy: -0.114
local terms energy: -50.443135
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -7.532
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -7.487
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -212.981564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.981564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.981564 (E_RNA)
where:
Base-Base interactions energy: -140.187
where: short stacking energy: -77.662
Base-Backbone interact. energy: -0.024
local terms energy: -72.771383
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -20.035
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: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -194.397757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.397757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.397757 (E_RNA)
where:
Base-Base interactions energy: -121.923
where: short stacking energy: -63.776
Base-Backbone interact. energy: -0.241
local terms energy: -72.233597
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -7.989
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -178.205055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.205055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.205055 (E_RNA)
where:
Base-Base interactions energy: -112.250
where: short stacking energy: -57.145
Base-Backbone interact. energy: 0.440
local terms energy: -66.394919
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -7.883
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: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -166.973362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.973362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.973362 (E_RNA)
where:
Base-Base interactions energy: -92.625
where: short stacking energy: -57.132
Base-Backbone interact. energy: -1.949
local terms energy: -72.399934
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -103.383179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.383179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.383179 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -46.513
Base-Backbone interact. energy: -0.092
local terms energy: -56.778265
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -148.185894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.185894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.185894 (E_RNA)
where:
Base-Base interactions energy: -87.083
where: short stacking energy: -45.145
Base-Backbone interact. energy: -0.312
local terms energy: -60.791248
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -98.487625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.487625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.487625 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.017
local terms energy: -56.105687
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -12.174
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: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -87.348910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.348910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.348910 (E_RNA)
where:
Base-Base interactions energy: -41.585
where: short stacking energy: -41.585
Base-Backbone interact. energy: -0.005
local terms energy: -45.758729
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -8.706
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -77.255400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.255400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.255400 (E_RNA)
where:
Base-Base interactions energy: -23.942
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.135
local terms energy: -53.179034
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -7.646
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: 125
Temperature: 1.350000
Total energy: -73.814254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.814254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.814254 (E_RNA)
where:
Base-Base interactions energy: -40.605
where: short stacking energy: -20.354
Base-Backbone interact. energy: -0.600
local terms energy: -32.609541
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: 3.856
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: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -216.678276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.678276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.678276 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -79.144
Base-Backbone interact. energy: -0.594
local terms energy: -74.490940
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -203.678802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.678802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.678802 (E_RNA)
where:
Base-Base interactions energy: -127.170
where: short stacking energy: -75.468
Base-Backbone interact. energy: -0.294
local terms energy: -76.213908
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -172.303039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.303039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.303039 (E_RNA)
where:
Base-Base interactions energy: -103.202
where: short stacking energy: -57.877
Base-Backbone interact. energy: -0.080
local terms energy: -69.021125
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -13.254
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: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -166.255080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.255080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.255080 (E_RNA)
where:
Base-Base interactions energy: -101.702
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.010
local terms energy: -64.543691
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -11.089
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: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -168.725376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725376 (E_RNA)
where:
Base-Base interactions energy: -100.407
where: short stacking energy: -64.568
Base-Backbone interact. energy: -0.545
local terms energy: -67.773146
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -117.778093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.778093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.778093 (E_RNA)
where:
Base-Base interactions energy: -56.669
where: short stacking energy: -32.005
Base-Backbone interact. energy: -0.062
local terms energy: -61.047209
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -87.167844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.167844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.167844 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -35.159
Base-Backbone interact. energy: -0.337
local terms energy: -49.031892
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -5.878
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: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -85.960985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.960985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.960985 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -32.663
Base-Backbone interact. energy: -0.168
local terms energy: -52.725044
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -81.541042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.541042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.541042 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -23.695
Base-Backbone interact. energy: 2.066
local terms energy: -49.465949
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -74.482016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.482016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.482016 (E_RNA)
where:
Base-Base interactions energy: -32.835
where: short stacking energy: -28.091
Base-Backbone interact. energy: -0.679
local terms energy: -40.968019
where:
bonds (distance) C4'-P energy: -7.970
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -8.280
flat angles P-C4'-P energy: -6.379
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: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -209.967929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.967929 (E_RNA)
where:
Base-Base interactions energy: -138.458
where: short stacking energy: -74.212
Base-Backbone interact. energy: 1.600
local terms energy: -73.110050
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -167.261979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.261979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.261979 (E_RNA)
where:
Base-Base interactions energy: -100.478
where: short stacking energy: -53.771
Base-Backbone interact. energy: 1.731
local terms energy: -68.515262
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -192.385926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.385926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.385926 (E_RNA)
where:
Base-Base interactions energy: -118.386
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.114
local terms energy: -73.885416
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -165.163456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.163456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.163456 (E_RNA)
where:
Base-Base interactions energy: -104.305
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.013
local terms energy: -60.845757
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -9.271
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: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -153.157107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.157107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.157107 (E_RNA)
where:
Base-Base interactions energy: -89.109
where: short stacking energy: -46.674
Base-Backbone interact. energy: -0.160
local terms energy: -63.888144
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -160.482875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.482875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.482875 (E_RNA)
where:
Base-Base interactions energy: -95.824
where: short stacking energy: -42.935
Base-Backbone interact. energy: -0.107
local terms energy: -64.552351
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -94.509492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.509492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.509492 (E_RNA)
where:
Base-Base interactions energy: -36.408
where: short stacking energy: -36.408
Base-Backbone interact. energy: -0.009
local terms energy: -58.092297
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -91.000273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.000273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.000273 (E_RNA)
where:
Base-Base interactions energy: -33.948
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.519
local terms energy: -56.533005
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -78.297006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.297006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.297006 (E_RNA)
where:
Base-Base interactions energy: -23.456
where: short stacking energy: -22.790
Base-Backbone interact. energy: -0.002
local terms energy: -54.838251
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -71.499989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.499989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.499989 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -22.632
Base-Backbone interact. energy: -0.022
local terms energy: -36.938052
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -7.173
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: 1.603
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: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -209.131626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.131626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.131626 (E_RNA)
where:
Base-Base interactions energy: -134.112
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.001
local terms energy: -75.019296
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -181.040705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.040705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.040705 (E_RNA)
where:
Base-Base interactions energy: -110.577
where: short stacking energy: -57.453
Base-Backbone interact. energy: -2.342
local terms energy: -68.122101
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -15.884
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: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -166.407875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.407875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.407875 (E_RNA)
where:
Base-Base interactions energy: -95.126
where: short stacking energy: -61.246
Base-Backbone interact. energy: -2.266
local terms energy: -69.015347
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -166.189187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.189187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.189187 (E_RNA)
where:
Base-Base interactions energy: -106.676
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.093
local terms energy: -59.419853
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -14.751
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: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -176.451337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.451337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.451337 (E_RNA)
where:
Base-Base interactions energy: -107.884
where: short stacking energy: -59.854
Base-Backbone interact. energy: -0.717
local terms energy: -67.850521
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -138.482677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.482677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.482677 (E_RNA)
where:
Base-Base interactions energy: -75.990
where: short stacking energy: -39.311
Base-Backbone interact. energy: -0.188
local terms energy: -62.305240
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -107.509507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.509507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.509507 (E_RNA)
where:
Base-Base interactions energy: -44.772
where: short stacking energy: -42.286
Base-Backbone interact. energy: -0.876
local terms energy: -61.861575
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -73.971302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.971302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.971302 (E_RNA)
where:
Base-Base interactions energy: -27.066
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.124
local terms energy: -46.781167
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -88.214511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.214511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.214511 (E_RNA)
where:
Base-Base interactions energy: -32.801
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.084
local terms energy: -55.329890
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -82.299177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.299177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.299177 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.197
local terms energy: -45.909465
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -218.614738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.614738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.614738 (E_RNA)
where:
Base-Base interactions energy: -138.167
where: short stacking energy: -77.122
Base-Backbone interact. energy: -0.003
local terms energy: -80.445094
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -167.728092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.728092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.728092 (E_RNA)
where:
Base-Base interactions energy: -97.802
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.109
local terms energy: -69.817048
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -9.350
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: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -165.613194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.613194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.613194 (E_RNA)
where:
Base-Base interactions energy: -96.640
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.233
local terms energy: -68.739548
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -197.031546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.031546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.031546 (E_RNA)
where:
Base-Base interactions energy: -118.688
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.045
local terms energy: -78.299061
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -158.671200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.671200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.671200 (E_RNA)
where:
Base-Base interactions energy: -93.996
where: short stacking energy: -54.223
Base-Backbone interact. energy: -0.325
local terms energy: -64.350167
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -157.216293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.216293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.216293 (E_RNA)
where:
Base-Base interactions energy: -89.281
where: short stacking energy: -45.379
Base-Backbone interact. energy: -0.031
local terms energy: -67.904651
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -97.412289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.412289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.412289 (E_RNA)
where:
Base-Base interactions energy: -35.932
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.002
local terms energy: -61.478349
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -9.939
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: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -95.916048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.916048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.916048 (E_RNA)
where:
Base-Base interactions energy: -46.794
where: short stacking energy: -24.291
Base-Backbone interact. energy: -0.358
local terms energy: -48.763876
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -2.844
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: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -83.370460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.370460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.370460 (E_RNA)
where:
Base-Base interactions energy: -30.852
where: short stacking energy: -30.852
Base-Backbone interact. energy: -0.062
local terms energy: -52.456616
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -88.315701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.315701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.315701 (E_RNA)
where:
Base-Base interactions energy: -35.983
where: short stacking energy: -35.983
Base-Backbone interact. energy: -0.063
local terms energy: -52.269985
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -4.244
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: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -193.736648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.736648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.736648 (E_RNA)
where:
Base-Base interactions energy: -117.360
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.690
local terms energy: -75.687173
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -178.090578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.090578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.090578 (E_RNA)
where:
Base-Base interactions energy: -100.189
where: short stacking energy: -58.484
Base-Backbone interact. energy: 0.572
local terms energy: -78.473734
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -183.521963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.521963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.521963 (E_RNA)
where:
Base-Base interactions energy: -116.628
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.217
local terms energy: -66.677715
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -163.940985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.940985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.940985 (E_RNA)
where:
Base-Base interactions energy: -94.492
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.103
local terms energy: -69.345217
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -151.987760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.987760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.987760 (E_RNA)
where:
Base-Base interactions energy: -92.500
where: short stacking energy: -49.244
Base-Backbone interact. energy: -0.859
local terms energy: -58.628814
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -156.643740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.643740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.643740 (E_RNA)
where:
Base-Base interactions energy: -98.966
where: short stacking energy: -48.021
Base-Backbone interact. energy: -0.324
local terms energy: -57.354041
where:
bonds (distance) C4'-P energy: -7.691
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -8.389
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: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -92.722437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.722437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.722437 (E_RNA)
where:
Base-Base interactions energy: -35.944
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.135
local terms energy: -56.643195
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -92.946037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.946037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.946037 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.005
local terms energy: -58.460258
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -91.109148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.109148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.109148 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -35.229
Base-Backbone interact. energy: 0.418
local terms energy: -54.890734
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -2.382
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: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -82.706297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.706297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.706297 (E_RNA)
where:
Base-Base interactions energy: -34.006
where: short stacking energy: -33.516
Base-Backbone interact. energy: 0.251
local terms energy: -48.951403
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -2.213
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: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -198.461852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.461852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.461852 (E_RNA)
where:
Base-Base interactions energy: -116.183
where: short stacking energy: -72.410
Base-Backbone interact. energy: -2.011
local terms energy: -80.267805
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -205.258244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.258244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.258244 (E_RNA)
where:
Base-Base interactions energy: -136.645
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.012
local terms energy: -68.600852
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -17.740
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: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -168.421629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.421629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.421629 (E_RNA)
where:
Base-Base interactions energy: -108.512
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.216
local terms energy: -59.693144
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -172.951524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.951524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.951524 (E_RNA)
where:
Base-Base interactions energy: -106.111
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.045
local terms energy: -66.795529
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -151.920788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.920788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.920788 (E_RNA)
where:
Base-Base interactions energy: -80.489
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.826
local terms energy: -70.605352
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -108.786178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.786178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.786178 (E_RNA)
where:
Base-Base interactions energy: -55.745
where: short stacking energy: -41.552
Base-Backbone interact. energy: -0.089
local terms energy: -52.952046
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -140.652321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.652321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.652321 (E_RNA)
where:
Base-Base interactions energy: -81.276
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.098
local terms energy: -59.278116
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -11.065
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -83.067415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.067415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.067415 (E_RNA)
where:
Base-Base interactions energy: -26.966
where: short stacking energy: -26.966
Base-Backbone interact. energy: -0.097
local terms energy: -56.004348
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -94.368932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.368932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.368932 (E_RNA)
where:
Base-Base interactions energy: -35.027
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.569
local terms energy: -58.772181
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -82.391463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.391463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.391463 (E_RNA)
where:
Base-Base interactions energy: -32.936
where: short stacking energy: -32.848
Base-Backbone interact. energy: -0.083
local terms energy: -49.372441
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -203.212065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.212065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.212065 (E_RNA)
where:
Base-Base interactions energy: -134.189
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.035
local terms energy: -68.987972
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -190.758217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.758217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.758217 (E_RNA)
where:
Base-Base interactions energy: -119.740
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.000
local terms energy: -71.017915
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -170.612351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.612351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.612351 (E_RNA)
where:
Base-Base interactions energy: -100.490
where: short stacking energy: -54.977
Base-Backbone interact. energy: -0.007
local terms energy: -70.114924
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -12.221
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: 132
Temperature: 1.050000
Total energy: -161.287953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.287953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.287953 (E_RNA)
where:
Base-Base interactions energy: -99.558
where: short stacking energy: -49.836
Base-Backbone interact. energy: -0.233
local terms energy: -61.497347
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -154.080455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.080455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.080455 (E_RNA)
where:
Base-Base interactions energy: -93.185
where: short stacking energy: -50.132
Base-Backbone interact. energy: 0.222
local terms energy: -61.117460
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -9.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -100.515066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.515066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.515066 (E_RNA)
where:
Base-Base interactions energy: -47.179
where: short stacking energy: -39.704
Base-Backbone interact. energy: 1.833
local terms energy: -55.169623
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -139.635157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.635157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.635157 (E_RNA)
where:
Base-Base interactions energy: -74.236
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.283
local terms energy: -65.116343
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -8.779
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: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -86.991424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.991424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.991424 (E_RNA)
where:
Base-Base interactions energy: -50.826
where: short stacking energy: -26.944
Base-Backbone interact. energy: 0.530
local terms energy: -36.695381
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -85.399869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.399869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.399869 (E_RNA)
where:
Base-Base interactions energy: -38.611
where: short stacking energy: -30.690
Base-Backbone interact. energy: 0.612
local terms energy: -47.401637
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -71.284795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.284795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.284795 (E_RNA)
where:
Base-Base interactions energy: -22.219
where: short stacking energy: -22.219
Base-Backbone interact. energy: -0.058
local terms energy: -49.008023
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -0.720
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: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -208.317125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.317125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.317125 (E_RNA)
where:
Base-Base interactions energy: -136.036
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.818
local terms energy: -71.463291
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -190.961981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.961981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.961981 (E_RNA)
where:
Base-Base interactions energy: -116.495
where: short stacking energy: -68.468
Base-Backbone interact. energy: -0.001
local terms energy: -74.466490
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -175.267154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.267154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.267154 (E_RNA)
where:
Base-Base interactions energy: -104.683
where: short stacking energy: -63.120
Base-Backbone interact. energy: -1.573
local terms energy: -69.010356
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -153.553317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.553317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.553317 (E_RNA)
where:
Base-Base interactions energy: -92.732
where: short stacking energy: -49.691
Base-Backbone interact. energy: -0.373
local terms energy: -60.448650
where:
bonds (distance) C4'-P energy: -7.264
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -9.811
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: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -162.995702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.995702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.995702 (E_RNA)
where:
Base-Base interactions energy: -98.028
where: short stacking energy: -55.224
Base-Backbone interact. energy: -2.351
local terms energy: -62.616747
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -137.981941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.981941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.981941 (E_RNA)
where:
Base-Base interactions energy: -83.217
where: short stacking energy: -41.462
Base-Backbone interact. energy: 0.092
local terms energy: -54.857498
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -117.064046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.064046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.064046 (E_RNA)
where:
Base-Base interactions energy: -66.104
where: short stacking energy: -35.967
Base-Backbone interact. energy: -0.285
local terms energy: -50.675053
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -7.858
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -85.987906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.987906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.987906 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -32.787
Base-Backbone interact. energy: -0.164
local terms energy: -51.996216
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -10.846
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: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -82.652629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.652629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.652629 (E_RNA)
where:
Base-Base interactions energy: -33.883
where: short stacking energy: -29.478
Base-Backbone interact. energy: -0.083
local terms energy: -48.686806
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -75.013961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.013961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.013961 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -30.169
Base-Backbone interact. energy: 1.857
local terms energy: -45.609402
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -189.156614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.156614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.156614 (E_RNA)
where:
Base-Base interactions energy: -115.323
where: short stacking energy: -77.527
Base-Backbone interact. energy: -0.068
local terms energy: -73.764801
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -209.304207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.304207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.304207 (E_RNA)
where:
Base-Base interactions energy: -134.530
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.037
local terms energy: -74.737166
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -188.121024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.121024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.121024 (E_RNA)
where:
Base-Base interactions energy: -119.970
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.006
local terms energy: -68.144660
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -163.830940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.830940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.830940 (E_RNA)
where:
Base-Base interactions energy: -100.984
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.000
local terms energy: -62.846383
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -13.509
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: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -156.805728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.805728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.805728 (E_RNA)
where:
Base-Base interactions energy: -93.248
where: short stacking energy: -44.610
Base-Backbone interact. energy: -0.043
local terms energy: -63.515475
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -143.778831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.778831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.778831 (E_RNA)
where:
Base-Base interactions energy: -86.918
where: short stacking energy: -43.694
Base-Backbone interact. energy: -0.499
local terms energy: -56.361983
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -6.184
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: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -92.079123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.079123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.079123 (E_RNA)
where:
Base-Base interactions energy: -36.872
where: short stacking energy: -36.247
Base-Backbone interact. energy: -0.241
local terms energy: -54.965364
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -8.852
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: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -107.456162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.456162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.456162 (E_RNA)
where:
Base-Base interactions energy: -53.172
where: short stacking energy: -17.446
Base-Backbone interact. energy: 1.729
local terms energy: -56.012353
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -85.232681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.232681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.232681 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -29.798
Base-Backbone interact. energy: -0.341
local terms energy: -51.990453
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -3.501
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: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -81.394562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.394562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.394562 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -36.238
Base-Backbone interact. energy: -2.680
local terms energy: -42.475821
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -1.910
tors. eta vs tors. theta energy: -3.216
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: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -189.211830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.211830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.211830 (E_RNA)
where:
Base-Base interactions energy: -119.708
where: short stacking energy: -63.042
Base-Backbone interact. energy: 0.010
local terms energy: -69.514213
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -11.314
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: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -210.046904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.046904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.046904 (E_RNA)
where:
Base-Base interactions energy: -131.960
where: short stacking energy: -70.256
Base-Backbone interact. energy: -0.513
local terms energy: -77.574169
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -182.510842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.510842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.510842 (E_RNA)
where:
Base-Base interactions energy: -114.086
where: short stacking energy: -52.655
Base-Backbone interact. energy: -0.074
local terms energy: -68.349934
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -13.251
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: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -163.149381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.149381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.149381 (E_RNA)
where:
Base-Base interactions energy: -96.685
where: short stacking energy: -53.557
Base-Backbone interact. energy: -0.061
local terms energy: -66.404001
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -171.984703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.984703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.984703 (E_RNA)
where:
Base-Base interactions energy: -101.318
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.004
local terms energy: -70.662794
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -10.469
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: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -165.855681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.855681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.855681 (E_RNA)
where:
Base-Base interactions energy: -107.274
where: short stacking energy: -49.965
Base-Backbone interact. energy: 1.109
local terms energy: -59.691350
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -97.966074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.966074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.966074 (E_RNA)
where:
Base-Base interactions energy: -44.608
where: short stacking energy: -29.667
Base-Backbone interact. energy: -1.017
local terms energy: -52.340765
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -90.208890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.208890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.208890 (E_RNA)
where:
Base-Base interactions energy: -43.633
where: short stacking energy: -22.112
Base-Backbone interact. energy: -0.402
local terms energy: -46.173446
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -7.302
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: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -79.286159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.286159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.286159 (E_RNA)
where:
Base-Base interactions energy: -26.569
where: short stacking energy: -25.611
Base-Backbone interact. energy: -0.663
local terms energy: -52.054444
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -4.735
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: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -79.166995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.166995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.166995 (E_RNA)
where:
Base-Base interactions energy: -40.025
where: short stacking energy: -23.823
Base-Backbone interact. energy: -0.061
local terms energy: -39.081732
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -6.614
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: 0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -212.571872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.571872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.571872 (E_RNA)
where:
Base-Base interactions energy: -133.862
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.124
local terms energy: -78.585873
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -187.909023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.909023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.909023 (E_RNA)
where:
Base-Base interactions energy: -124.041
where: short stacking energy: -67.211
Base-Backbone interact. energy: 0.043
local terms energy: -63.911476
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -161.971115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.971115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.971115 (E_RNA)
where:
Base-Base interactions energy: -97.501
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.237
local terms energy: -64.232715
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -168.225478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.225478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.225478 (E_RNA)
where:
Base-Base interactions energy: -103.638
where: short stacking energy: -51.950
Base-Backbone interact. energy: -0.500
local terms energy: -64.087276
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -13.574
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: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -160.768253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.768253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.768253 (E_RNA)
where:
Base-Base interactions energy: -92.216
where: short stacking energy: -44.224
Base-Backbone interact. energy: -0.347
local terms energy: -68.205509
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -153.737139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.737139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.737139 (E_RNA)
where:
Base-Base interactions energy: -86.649
where: short stacking energy: -47.569
Base-Backbone interact. energy: -0.089
local terms energy: -66.998979
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -11.403
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: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -103.913897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.913897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.913897 (E_RNA)
where:
Base-Base interactions energy: -49.984
where: short stacking energy: -39.082
Base-Backbone interact. energy: -0.026
local terms energy: -53.904685
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -94.707795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.707795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.707795 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -27.708
Base-Backbone interact. energy: -1.404
local terms energy: -60.225405
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -10.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -86.129714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.129714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.129714 (E_RNA)
where:
Base-Base interactions energy: -38.092
where: short stacking energy: -22.529
Base-Backbone interact. energy: -0.188
local terms energy: -47.849385
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -75.438400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.438400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.438400 (E_RNA)
where:
Base-Base interactions energy: -26.183
where: short stacking energy: -26.183
Base-Backbone interact. energy: -0.423
local terms energy: -48.832421
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: 1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -216.673799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.673799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.673799 (E_RNA)
where:
Base-Base interactions energy: -137.096
where: short stacking energy: -68.373
Base-Backbone interact. energy: -0.735
local terms energy: -78.843256
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.445
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: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -171.264300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.264300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.264300 (E_RNA)
where:
Base-Base interactions energy: -103.935
where: short stacking energy: -59.607
Base-Backbone interact. energy: -0.504
local terms energy: -66.825029
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -181.572495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.572495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.572495 (E_RNA)
where:
Base-Base interactions energy: -115.725
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.002
local terms energy: -65.845406
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -14.578
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: 137
Temperature: 1.050000
Total energy: -165.711529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.711529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.711529 (E_RNA)
where:
Base-Base interactions energy: -109.017
where: short stacking energy: -52.287
Base-Backbone interact. energy: 0.537
local terms energy: -57.231613
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -158.621838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.621838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.621838 (E_RNA)
where:
Base-Base interactions energy: -91.774
where: short stacking energy: -54.740
Base-Backbone interact. energy: -0.809
local terms energy: -66.038625
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -12.788
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: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -147.398947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.398947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.398947 (E_RNA)
where:
Base-Base interactions energy: -91.517
where: short stacking energy: -40.023
Base-Backbone interact. energy: -0.400
local terms energy: -55.481395
where:
bonds (distance) C4'-P energy: -8.053
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -102.889328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.889328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.889328 (E_RNA)
where:
Base-Base interactions energy: -43.333
where: short stacking energy: -25.433
Base-Backbone interact. energy: -0.085
local terms energy: -59.470594
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -86.327259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327259 (E_RNA)
where:
Base-Base interactions energy: -35.592
where: short stacking energy: -35.592
Base-Backbone interact. energy: -0.446
local terms energy: -50.289418
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -6.683
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -91.557536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.557536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.557536 (E_RNA)
where:
Base-Base interactions energy: -37.060
where: short stacking energy: -29.362
Base-Backbone interact. energy: -0.107
local terms energy: -54.390256
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -86.415888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.415888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.415888 (E_RNA)
where:
Base-Base interactions energy: -34.149
where: short stacking energy: -27.013
Base-Backbone interact. energy: -0.454
local terms energy: -51.812213
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: 1.665
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -217.692249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.692249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.692249 (E_RNA)
where:
Base-Base interactions energy: -140.663
where: short stacking energy: -73.756
Base-Backbone interact. energy: -0.129
local terms energy: -76.900005
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -162.994675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.994675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.994675 (E_RNA)
where:
Base-Base interactions energy: -94.418
where: short stacking energy: -59.519
Base-Backbone interact. energy: 0.291
local terms energy: -68.867817
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.906
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: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -183.403288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.403288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.403288 (E_RNA)
where:
Base-Base interactions energy: -120.481
where: short stacking energy: -60.123
Base-Backbone interact. energy: -0.058
local terms energy: -62.863934
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -167.327482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.327482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.327482 (E_RNA)
where:
Base-Base interactions energy: -93.927
where: short stacking energy: -51.453
Base-Backbone interact. energy: -1.020
local terms energy: -72.380089
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -13.354
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: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -172.869124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.869124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.869124 (E_RNA)
where:
Base-Base interactions energy: -108.506
where: short stacking energy: -48.588
Base-Backbone interact. energy: -0.202
local terms energy: -64.161222
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -147.063841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.063841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.063841 (E_RNA)
where:
Base-Base interactions energy: -85.388
where: short stacking energy: -50.089
Base-Backbone interact. energy: -0.053
local terms energy: -61.622527
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -10.008
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: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -83.981596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.981596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.981596 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -22.524
Base-Backbone interact. energy: -1.633
local terms energy: -48.042219
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -5.797
flat angles P-C4'-P energy: -12.929
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: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -76.129054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.129054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.129054 (E_RNA)
where:
Base-Base interactions energy: -30.778
where: short stacking energy: -25.825
Base-Backbone interact. energy: -0.725
local terms energy: -44.626138
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -84.140104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.140104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.140104 (E_RNA)
where:
Base-Base interactions energy: -35.612
where: short stacking energy: -33.642
Base-Backbone interact. energy: -0.050
local terms energy: -48.477725
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -78.874920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.874920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.874920 (E_RNA)
where:
Base-Base interactions energy: -26.547
where: short stacking energy: -22.852
Base-Backbone interact. energy: 1.341
local terms energy: -53.669253
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -209.579669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.579669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.579669 (E_RNA)
where:
Base-Base interactions energy: -133.325
where: short stacking energy: -72.445
Base-Backbone interact. energy: 0.370
local terms energy: -76.624934
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -193.419964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.419964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.419964 (E_RNA)
where:
Base-Base interactions energy: -130.663
where: short stacking energy: -65.506
Base-Backbone interact. energy: -0.463
local terms energy: -62.293539
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -161.413746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.413746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.413746 (E_RNA)
where:
Base-Base interactions energy: -94.368
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.084
local terms energy: -66.962273
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -148.402360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.402360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.402360 (E_RNA)
where:
Base-Base interactions energy: -86.116
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.367
local terms energy: -61.919613
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -162.140295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.140295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.140295 (E_RNA)
where:
Base-Base interactions energy: -93.908
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.570
local terms energy: -67.663132
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -7.335
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -14.939
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: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -146.040685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.040685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.040685 (E_RNA)
where:
Base-Base interactions energy: -81.925
where: short stacking energy: -38.021
Base-Backbone interact. energy: -0.247
local terms energy: -63.867946
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -103.817558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.817558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.817558 (E_RNA)
where:
Base-Base interactions energy: -43.730
where: short stacking energy: -40.023
Base-Backbone interact. energy: -0.325
local terms energy: -59.762386
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -10.499
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: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -89.309772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.309772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.309772 (E_RNA)
where:
Base-Base interactions energy: -31.831
where: short stacking energy: -31.567
Base-Backbone interact. energy: -0.100
local terms energy: -57.378588
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -85.583953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.583953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.583953 (E_RNA)
where:
Base-Base interactions energy: -33.460
where: short stacking energy: -26.017
Base-Backbone interact. energy: -0.072
local terms energy: -52.052029
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -79.218072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218072 (E_RNA)
where:
Base-Base interactions energy: -29.211
where: short stacking energy: -29.211
Base-Backbone interact. energy: -0.053
local terms energy: -49.954760
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: 1.594
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: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -188.448394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.448394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448394 (E_RNA)
where:
Base-Base interactions energy: -122.398
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.001
local terms energy: -66.049902
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -6.166
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: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -191.586866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.586866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.586866 (E_RNA)
where:
Base-Base interactions energy: -124.041
where: short stacking energy: -51.228
Base-Backbone interact. energy: 2.071
local terms energy: -69.616839
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -171.408685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.408685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.408685 (E_RNA)
where:
Base-Base interactions energy: -108.671
where: short stacking energy: -56.688
Base-Backbone interact. energy: 0.082
local terms energy: -62.819032
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -145.224410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.224410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.224410 (E_RNA)
where:
Base-Base interactions energy: -89.779
where: short stacking energy: -51.900
Base-Backbone interact. energy: -0.010
local terms energy: -55.435845
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -10.380
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: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -169.996658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.996658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.996658 (E_RNA)
where:
Base-Base interactions energy: -100.526
where: short stacking energy: -57.489
Base-Backbone interact. energy: -2.407
local terms energy: -67.063852
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -153.892922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.892922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.892922 (E_RNA)
where:
Base-Base interactions energy: -98.617
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.027
local terms energy: -55.248436
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -8.099
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -3.114
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -100.292490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292490 (E_RNA)
where:
Base-Base interactions energy: -43.161
where: short stacking energy: -43.161
Base-Backbone interact. energy: -0.047
local terms energy: -57.084176
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -92.126718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.126718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.126718 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -34.159
Base-Backbone interact. energy: -0.633
local terms energy: -50.021567
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: 0.568
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: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -90.114234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.114234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.114234 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -27.578
Base-Backbone interact. energy: -0.554
local terms energy: -57.318667
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -95.415334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.415334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.415334 (E_RNA)
where:
Base-Base interactions energy: -39.389
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.037
local terms energy: -55.990194
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -191.984725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.984725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.984725 (E_RNA)
where:
Base-Base interactions energy: -118.662
where: short stacking energy: -66.005
Base-Backbone interact. energy: -0.008
local terms energy: -73.315154
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -10.242
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: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -186.737071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.737071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.737071 (E_RNA)
where:
Base-Base interactions energy: -116.359
where: short stacking energy: -58.511
Base-Backbone interact. energy: -0.018
local terms energy: -70.360191
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -194.547024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.547024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.547024 (E_RNA)
where:
Base-Base interactions energy: -124.011
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.196
local terms energy: -70.340295
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -179.696371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.696371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.696371 (E_RNA)
where:
Base-Base interactions energy: -116.148
where: short stacking energy: -61.698
Base-Backbone interact. energy: 0.962
local terms energy: -64.510956
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -16.595
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: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -139.571842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.571842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.571842 (E_RNA)
where:
Base-Base interactions energy: -85.080
where: short stacking energy: -38.773
Base-Backbone interact. energy: -0.163
local terms energy: -54.328417
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -8.078
flat angles P-C4'-P energy: -10.013
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: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -154.209801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.209801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.209801 (E_RNA)
where:
Base-Base interactions energy: -92.922
where: short stacking energy: -44.606
Base-Backbone interact. energy: -0.083
local terms energy: -61.204270
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -85.423485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.423485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.423485 (E_RNA)
where:
Base-Base interactions energy: -36.446
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.250
local terms energy: -48.727139
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -6.398
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -85.026343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.026343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.026343 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -35.279
Base-Backbone interact. energy: -0.034
local terms energy: -48.330306
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -6.914
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -78.126906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.126906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.126906 (E_RNA)
where:
Base-Base interactions energy: -35.811
where: short stacking energy: -28.024
Base-Backbone interact. energy: 1.062
local terms energy: -43.378398
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -8.606
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -84.400428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.400428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.400428 (E_RNA)
where:
Base-Base interactions energy: -37.303
where: short stacking energy: -13.436
Base-Backbone interact. energy: -0.474
local terms energy: -46.623852
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -10.128
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: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -193.789060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.789060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.789060 (E_RNA)
where:
Base-Base interactions energy: -117.596
where: short stacking energy: -58.035
Base-Backbone interact. energy: -0.630
local terms energy: -75.563013
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.754
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: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -187.545873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.545873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.545873 (E_RNA)
where:
Base-Base interactions energy: -114.777
where: short stacking energy: -62.756
Base-Backbone interact. energy: -0.045
local terms energy: -72.723415
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -167.480682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.480682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.480682 (E_RNA)
where:
Base-Base interactions energy: -104.234
where: short stacking energy: -48.610
Base-Backbone interact. energy: -0.259
local terms energy: -62.988147
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -195.638303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.638303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.638303 (E_RNA)
where:
Base-Base interactions energy: -136.471
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.251
local terms energy: -58.916387
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -162.811445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.811445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.811445 (E_RNA)
where:
Base-Base interactions energy: -95.573
where: short stacking energy: -57.597
Base-Backbone interact. energy: -0.029
local terms energy: -67.209224
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -148.965706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.965706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.965706 (E_RNA)
where:
Base-Base interactions energy: -85.575
where: short stacking energy: -52.105
Base-Backbone interact. energy: -0.592
local terms energy: -62.798661
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -88.494163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494163 (E_RNA)
where:
Base-Base interactions energy: -40.925
where: short stacking energy: -39.113
Base-Backbone interact. energy: 0.131
local terms energy: -47.699468
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -82.781780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.781780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.781780 (E_RNA)
where:
Base-Base interactions energy: -40.051
where: short stacking energy: -34.337
Base-Backbone interact. energy: -0.131
local terms energy: -42.599791
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -7.755
flat angles P-C4'-P energy: -2.821
tors. eta vs tors. theta energy: -6.512
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: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -87.165058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.165058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.165058 (E_RNA)
where:
Base-Base interactions energy: -38.481
where: short stacking energy: -29.611
Base-Backbone interact. energy: -0.306
local terms energy: -48.377442
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: 0.437
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: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -77.321789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.321789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.321789 (E_RNA)
where:
Base-Base interactions energy: -26.791
where: short stacking energy: -24.022
Base-Backbone interact. energy: 0.055
local terms energy: -50.585607
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -208.412079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.412079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.412079 (E_RNA)
where:
Base-Base interactions energy: -123.871
where: short stacking energy: -71.057
Base-Backbone interact. energy: -0.007
local terms energy: -84.534489
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -181.965254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.965254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.965254 (E_RNA)
where:
Base-Base interactions energy: -115.705
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.004
local terms energy: -66.256629
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -16.421
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: 143
Temperature: 1.000000
Total energy: -158.988260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.988260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.988260 (E_RNA)
where:
Base-Base interactions energy: -91.891
where: short stacking energy: -42.867
Base-Backbone interact. energy: -0.257
local terms energy: -66.840225
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -11.163
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: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -159.791745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.791745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.791745 (E_RNA)
where:
Base-Base interactions energy: -97.600
where: short stacking energy: -46.221
Base-Backbone interact. energy: 0.668
local terms energy: -62.860037
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -164.705906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.705906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.705906 (E_RNA)
where:
Base-Base interactions energy: -104.601
where: short stacking energy: -52.663
Base-Backbone interact. energy: -2.346
local terms energy: -57.758500
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -12.915
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: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -155.529922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.529922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.529922 (E_RNA)
where:
Base-Base interactions energy: -90.141
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.011
local terms energy: -65.378060
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -10.651
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: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -103.633409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.633409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.633409 (E_RNA)
where:
Base-Base interactions energy: -58.032
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.901
local terms energy: -44.700339
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -9.988
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: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -130.899671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.899671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.899671 (E_RNA)
where:
Base-Base interactions energy: -75.962
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.060
local terms energy: -54.877639
where:
bonds (distance) C4'-P energy: -5.086
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -84.380105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.380105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.380105 (E_RNA)
where:
Base-Base interactions energy: -40.639
where: short stacking energy: -24.074
Base-Backbone interact. energy: 1.696
local terms energy: -45.436845
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -74.846341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.846341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.846341 (E_RNA)
where:
Base-Base interactions energy: -26.217
where: short stacking energy: -25.049
Base-Backbone interact. energy: -0.113
local terms energy: -48.517062
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -0.511
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: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -204.577124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577124 (E_RNA)
where:
Base-Base interactions energy: -137.264
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.472
local terms energy: -66.840789
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -190.958610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.958610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.958610 (E_RNA)
where:
Base-Base interactions energy: -124.572
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.002
local terms energy: -66.384801
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -164.600391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.600391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.600391 (E_RNA)
where:
Base-Base interactions energy: -98.248
where: short stacking energy: -44.817
Base-Backbone interact. energy: -0.037
local terms energy: -66.315274
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -159.307564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.307564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.307564 (E_RNA)
where:
Base-Base interactions energy: -95.119
where: short stacking energy: -48.607
Base-Backbone interact. energy: 2.642
local terms energy: -66.829900
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -147.055284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.055284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.055284 (E_RNA)
where:
Base-Base interactions energy: -81.038
where: short stacking energy: -41.590
Base-Backbone interact. energy: -2.105
local terms energy: -63.912220
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -177.528665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.528665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.528665 (E_RNA)
where:
Base-Base interactions energy: -116.211
where: short stacking energy: -46.054
Base-Backbone interact. energy: -0.105
local terms energy: -61.212460
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -96.913149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.913149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.913149 (E_RNA)
where:
Base-Base interactions energy: -51.952
where: short stacking energy: -34.628
Base-Backbone interact. energy: 1.498
local terms energy: -46.459203
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -77.969425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.969425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.969425 (E_RNA)
where:
Base-Base interactions energy: -22.179
where: short stacking energy: -22.179
Base-Backbone interact. energy: -0.229
local terms energy: -55.561170
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -86.657226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.657226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.657226 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -19.887
Base-Backbone interact. energy: -0.241
local terms energy: -46.052213
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -1.516
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: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -78.575047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.575047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.575047 (E_RNA)
where:
Base-Base interactions energy: -33.536
where: short stacking energy: -29.858
Base-Backbone interact. energy: -0.469
local terms energy: -44.570132
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -0.137
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: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -201.770271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.770271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.770271 (E_RNA)
where:
Base-Base interactions energy: -124.455
where: short stacking energy: -68.466
Base-Backbone interact. energy: -2.587
local terms energy: -74.728107
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -159.983010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.983010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.983010 (E_RNA)
where:
Base-Base interactions energy: -92.262
where: short stacking energy: -56.036
Base-Backbone interact. energy: -0.100
local terms energy: -67.620327
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -13.531
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: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -185.581387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.581387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.581387 (E_RNA)
where:
Base-Base interactions energy: -117.909
where: short stacking energy: -67.137
Base-Backbone interact. energy: -0.016
local terms energy: -67.656264
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -155.193979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.193979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.193979 (E_RNA)
where:
Base-Base interactions energy: -82.967
where: short stacking energy: -44.188
Base-Backbone interact. energy: -0.099
local terms energy: -72.127511
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -15.856
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: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -107.747593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.747593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.747593 (E_RNA)
where:
Base-Base interactions energy: -45.966
where: short stacking energy: -40.612
Base-Backbone interact. energy: 0.789
local terms energy: -62.570221
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -114.214335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.214335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.214335 (E_RNA)
where:
Base-Base interactions energy: -59.930
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.070
local terms energy: -54.214096
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -9.303
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -125.293841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.293841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.293841 (E_RNA)
where:
Base-Base interactions energy: -75.221
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.143
local terms energy: -49.930127
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -6.895
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: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -87.440204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.440204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.440204 (E_RNA)
where:
Base-Base interactions energy: -37.110
where: short stacking energy: -35.557
Base-Backbone interact. energy: -0.083
local terms energy: -50.247259
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -73.172081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.172081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.172081 (E_RNA)
where:
Base-Base interactions energy: -27.592
where: short stacking energy: -27.592
Base-Backbone interact. energy: -0.602
local terms energy: -44.978508
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -6.505
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -79.133263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133263 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.035
local terms energy: -47.209917
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -4.524
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: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -204.273764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.273764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.273764 (E_RNA)
where:
Base-Base interactions energy: -122.572
where: short stacking energy: -70.509
Base-Backbone interact. energy: -1.420
local terms energy: -80.281790
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -20.406
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: 146
Temperature: 0.950000
Total energy: -160.657840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.657840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.657840 (E_RNA)
where:
Base-Base interactions energy: -94.359
where: short stacking energy: -55.046
Base-Backbone interact. energy: -0.733
local terms energy: -65.565025
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -168.306410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.306410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.306410 (E_RNA)
where:
Base-Base interactions energy: -104.266
where: short stacking energy: -54.774
Base-Backbone interact. energy: 1.422
local terms energy: -65.462503
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -154.099296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.099296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.099296 (E_RNA)
where:
Base-Base interactions energy: -91.460
where: short stacking energy: -60.216
Base-Backbone interact. energy: -0.097
local terms energy: -62.542676
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -17.253
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: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -108.480171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.480171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.480171 (E_RNA)
where:
Base-Base interactions energy: -51.417
where: short stacking energy: -49.212
Base-Backbone interact. energy: -0.119
local terms energy: -56.944097
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -5.619
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: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -96.962142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.962142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.962142 (E_RNA)
where:
Base-Base interactions energy: -39.427
where: short stacking energy: -38.860
Base-Backbone interact. energy: -0.054
local terms energy: -57.481895
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -106.737864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.737864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.737864 (E_RNA)
where:
Base-Base interactions energy: -57.436
where: short stacking energy: -39.690
Base-Backbone interact. energy: -0.004
local terms energy: -49.297998
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -87.371841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.371841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.371841 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -27.162
Base-Backbone interact. energy: -0.228
local terms energy: -54.525948
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -2.298
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: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -91.244146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.244146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.244146 (E_RNA)
where:
Base-Base interactions energy: -34.303
where: short stacking energy: -33.102
Base-Backbone interact. energy: -1.019
local terms energy: -55.921922
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -90.629053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.629053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.629053 (E_RNA)
where:
Base-Base interactions energy: -41.441
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.129
local terms energy: -49.058743
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -201.733623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.733623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.733623 (E_RNA)
where:
Base-Base interactions energy: -123.091
where: short stacking energy: -66.541
Base-Backbone interact. energy: -0.383
local terms energy: -78.259737
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -18.710
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: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -185.497751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.497751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.497751 (E_RNA)
where:
Base-Base interactions energy: -113.053
where: short stacking energy: -64.830
Base-Backbone interact. energy: -0.040
local terms energy: -72.405387
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -183.014940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.014940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.014940 (E_RNA)
where:
Base-Base interactions energy: -117.669
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.238
local terms energy: -65.108240
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -156.680070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.680070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.680070 (E_RNA)
where:
Base-Base interactions energy: -96.645
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.052
local terms energy: -59.983411
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -94.755879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.755879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.755879 (E_RNA)
where:
Base-Base interactions energy: -43.993
where: short stacking energy: -17.751
Base-Backbone interact. energy: -0.350
local terms energy: -50.412559
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: 2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -108.562214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.562214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.562214 (E_RNA)
where:
Base-Base interactions energy: -57.796
where: short stacking energy: -34.065
Base-Backbone interact. energy: -0.394
local terms energy: -50.371988
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -90.721922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.721922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.721922 (E_RNA)
where:
Base-Base interactions energy: -44.900
where: short stacking energy: -36.507
Base-Backbone interact. energy: -0.051
local terms energy: -45.771438
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -4.124
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -84.922178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.922178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.922178 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -26.699
Base-Backbone interact. energy: -0.669
local terms energy: -49.091929
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: 1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -74.616397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.616397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.616397 (E_RNA)
where:
Base-Base interactions energy: -28.342
where: short stacking energy: -26.696
Base-Backbone interact. energy: 1.519
local terms energy: -47.792983
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -86.611704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.611704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.611704 (E_RNA)
where:
Base-Base interactions energy: -34.919
where: short stacking energy: -34.919
Base-Backbone interact. energy: -0.107
local terms energy: -51.585720
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -5.528
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: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -206.299130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.299130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.299130 (E_RNA)
where:
Base-Base interactions energy: -129.621
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.329
local terms energy: -76.349203
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -20.625
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: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -166.479348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.479348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.479348 (E_RNA)
where:
Base-Base interactions energy: -93.945
where: short stacking energy: -61.042
Base-Backbone interact. energy: -0.003
local terms energy: -72.531185
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -177.945239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.945239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.945239 (E_RNA)
where:
Base-Base interactions energy: -112.182
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.013
local terms energy: -65.750127
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -11.916
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: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -168.147530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.147530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.147530 (E_RNA)
where:
Base-Base interactions energy: -106.781
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.005
local terms energy: -61.361567
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -101.295855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.295855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.295855 (E_RNA)
where:
Base-Base interactions energy: -43.513
where: short stacking energy: -40.119
Base-Backbone interact. energy: 0.819
local terms energy: -58.601815
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -106.708986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.708986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.708986 (E_RNA)
where:
Base-Base interactions energy: -60.528
where: short stacking energy: -19.597
Base-Backbone interact. energy: 0.174
local terms energy: -46.354878
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -7.807
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -88.020377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.020377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.020377 (E_RNA)
where:
Base-Base interactions energy: -41.778
where: short stacking energy: -41.004
Base-Backbone interact. energy: -0.034
local terms energy: -46.208558
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -142.379753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.379753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.379753 (E_RNA)
where:
Base-Base interactions energy: -86.747
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.106
local terms energy: -55.527316
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -9.637
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: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -86.104427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.104427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.104427 (E_RNA)
where:
Base-Base interactions energy: -34.734
where: short stacking energy: -34.734
Base-Backbone interact. energy: -0.542
local terms energy: -50.828408
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -88.120888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.120888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.120888 (E_RNA)
where:
Base-Base interactions energy: -35.556
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.080
local terms energy: -52.484342
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -0.681
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: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -198.365512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.365512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.365512 (E_RNA)
where:
Base-Base interactions energy: -133.536
where: short stacking energy: -56.758
Base-Backbone interact. energy: -0.577
local terms energy: -64.252318
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -8.471
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: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -169.487734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.487734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.487734 (E_RNA)
where:
Base-Base interactions energy: -102.246
where: short stacking energy: -57.657
Base-Backbone interact. energy: -0.158
local terms energy: -67.083908
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -180.634878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.634878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.634878 (E_RNA)
where:
Base-Base interactions energy: -111.643
where: short stacking energy: -54.909
Base-Backbone interact. energy: 0.297
local terms energy: -69.289314
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -11.276
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: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -178.282446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.282446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.282446 (E_RNA)
where:
Base-Base interactions energy: -113.516
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.070
local terms energy: -64.695905
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.319
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: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -105.567013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.567013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.567013 (E_RNA)
where:
Base-Base interactions energy: -61.639
where: short stacking energy: -19.273
Base-Backbone interact. energy: -0.373
local terms energy: -43.554652
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -94.830899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.830899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.830899 (E_RNA)
where:
Base-Base interactions energy: -39.542
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.071
local terms energy: -55.217997
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.452
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: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -91.002229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.002229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.002229 (E_RNA)
where:
Base-Base interactions energy: -31.634
where: short stacking energy: -31.634
Base-Backbone interact. energy: -0.287
local terms energy: -59.080828
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: 1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -141.039125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.039125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.039125 (E_RNA)
where:
Base-Base interactions energy: -87.026
where: short stacking energy: -45.779
Base-Backbone interact. energy: 0.291
local terms energy: -54.304509
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -11.981
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: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -85.541790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.541790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.541790 (E_RNA)
where:
Base-Base interactions energy: -25.978
where: short stacking energy: -20.290
Base-Backbone interact. energy: -0.217
local terms energy: -59.347411
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -75.278780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.278780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.278780 (E_RNA)
where:
Base-Base interactions energy: -32.111
where: short stacking energy: -26.788
Base-Backbone interact. energy: 0.267
local terms energy: -43.435103
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -189.671819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.671819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.671819 (E_RNA)
where:
Base-Base interactions energy: -115.242
where: short stacking energy: -51.747
Base-Backbone interact. energy: -0.145
local terms energy: -74.285002
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -180.239649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.239649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.239649 (E_RNA)
where:
Base-Base interactions energy: -105.537
where: short stacking energy: -60.152
Base-Backbone interact. energy: -0.779
local terms energy: -73.923518
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -167.149252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.149252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.149252 (E_RNA)
where:
Base-Base interactions energy: -105.403
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.155
local terms energy: -61.591185
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -182.042657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.042657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.042657 (E_RNA)
where:
Base-Base interactions energy: -109.165
where: short stacking energy: -64.887
Base-Backbone interact. energy: -0.709
local terms energy: -72.168552
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -8.313
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -111.928817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.928817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.928817 (E_RNA)
where:
Base-Base interactions energy: -44.760
where: short stacking energy: -44.241
Base-Backbone interact. energy: -0.015
local terms energy: -67.153773
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -154.334613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.334613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.334613 (E_RNA)
where:
Base-Base interactions energy: -92.750
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.044
local terms energy: -61.540044
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -12.990
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: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -99.896164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.896164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.896164 (E_RNA)
where:
Base-Base interactions energy: -47.856
where: short stacking energy: -47.856
Base-Backbone interact. energy: 1.193
local terms energy: -53.233345
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -83.972808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.972808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.972808 (E_RNA)
where:
Base-Base interactions energy: -38.936
where: short stacking energy: -38.506
Base-Backbone interact. energy: -1.128
local terms energy: -43.909190
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -8.454
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -91.178494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.178494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.178494 (E_RNA)
where:
Base-Base interactions energy: -36.954
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.508
local terms energy: -53.716857
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -77.825566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.825566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.825566 (E_RNA)
where:
Base-Base interactions energy: -32.748
where: short stacking energy: -19.586
Base-Backbone interact. energy: -1.825
local terms energy: -43.252653
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: 4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -204.859128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.859128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.859128 (E_RNA)
where:
Base-Base interactions energy: -129.957
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.014
local terms energy: -74.888873
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -175.339370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.339370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.339370 (E_RNA)
where:
Base-Base interactions energy: -99.308
where: short stacking energy: -60.129
Base-Backbone interact. energy: -1.090
local terms energy: -74.940858
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -164.154889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.154889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.154889 (E_RNA)
where:
Base-Base interactions energy: -102.862
where: short stacking energy: -64.561
Base-Backbone interact. energy: 1.127
local terms energy: -62.420026
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -0.673
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -173.239696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.239696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.239696 (E_RNA)
where:
Base-Base interactions energy: -108.597
where: short stacking energy: -53.240
Base-Backbone interact. energy: -0.066
local terms energy: -64.576519
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -114.576785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.576785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.576785 (E_RNA)
where:
Base-Base interactions energy: -52.361
where: short stacking energy: -47.279
Base-Backbone interact. energy: -1.156
local terms energy: -61.060352
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -143.815069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.815069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.815069 (E_RNA)
where:
Base-Base interactions energy: -86.176
where: short stacking energy: -37.327
Base-Backbone interact. energy: -0.064
local terms energy: -57.575243
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -142.179886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.179886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.179886 (E_RNA)
where:
Base-Base interactions energy: -83.665
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.136
local terms energy: -58.379242
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -82.510624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.510624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.510624 (E_RNA)
where:
Base-Base interactions energy: -37.088
where: short stacking energy: -24.794
Base-Backbone interact. energy: -0.164
local terms energy: -45.258758
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -0.129
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: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -95.150587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.150587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.150587 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -39.948
Base-Backbone interact. energy: -0.241
local terms energy: -51.184819
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -8.012
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: 151
Temperature: 1.350000
Total energy: -76.630150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.630150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.630150 (E_RNA)
where:
Base-Base interactions energy: -24.815
where: short stacking energy: -22.557
Base-Backbone interact. energy: -0.217
local terms energy: -51.597801
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -204.456861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.456861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.456861 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.378
local terms energy: -71.313383
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -175.738359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.738359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.738359 (E_RNA)
where:
Base-Base interactions energy: -109.859
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.167
local terms energy: -65.712724
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -8.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -177.987919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.987919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.987919 (E_RNA)
where:
Base-Base interactions energy: -107.391
where: short stacking energy: -52.604
Base-Backbone interact. energy: 0.194
local terms energy: -70.790494
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -14.740
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: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -158.196922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.196922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.196922 (E_RNA)
where:
Base-Base interactions energy: -88.160
where: short stacking energy: -46.028
Base-Backbone interact. energy: -0.158
local terms energy: -69.878797
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -134.585838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.585838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.585838 (E_RNA)
where:
Base-Base interactions energy: -70.966
where: short stacking energy: -40.413
Base-Backbone interact. energy: -0.202
local terms energy: -63.418302
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -111.207087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.207087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.207087 (E_RNA)
where:
Base-Base interactions energy: -47.385
where: short stacking energy: -47.385
Base-Backbone interact. energy: -0.820
local terms energy: -63.001940
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -10.094
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: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -148.029607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.029607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.029607 (E_RNA)
where:
Base-Base interactions energy: -99.083
where: short stacking energy: -52.882
Base-Backbone interact. energy: -0.190
local terms energy: -48.755747
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -5.988
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: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -90.800375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.800375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.800375 (E_RNA)
where:
Base-Base interactions energy: -36.962
where: short stacking energy: -29.904
Base-Backbone interact. energy: -1.339
local terms energy: -52.499455
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -2.997
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: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -89.892980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.892980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.892980 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -32.954
Base-Backbone interact. energy: -0.056
local terms energy: -51.890683
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -89.151833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.151833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.151833 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -34.240
Base-Backbone interact. energy: 1.004
local terms energy: -55.915492
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -10.966
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: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -199.092664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.092664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.092664 (E_RNA)
where:
Base-Base interactions energy: -129.941
where: short stacking energy: -59.607
Base-Backbone interact. energy: -0.257
local terms energy: -68.895290
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -177.557662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.557662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.557662 (E_RNA)
where:
Base-Base interactions energy: -105.209
where: short stacking energy: -64.184
Base-Backbone interact. energy: -0.019
local terms energy: -72.329283
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -164.195133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.195133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.195133 (E_RNA)
where:
Base-Base interactions energy: -97.357
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.010
local terms energy: -66.827982
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -158.484100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.484100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.484100 (E_RNA)
where:
Base-Base interactions energy: -96.777
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.292
local terms energy: -61.415198
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -148.836712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.836712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.836712 (E_RNA)
where:
Base-Base interactions energy: -91.702
where: short stacking energy: -48.590
Base-Backbone interact. energy: -0.384
local terms energy: -56.750615
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -148.755327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.755327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.755327 (E_RNA)
where:
Base-Base interactions energy: -89.456
where: short stacking energy: -31.876
Base-Backbone interact. energy: -0.176
local terms energy: -59.122647
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -93.181541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.181541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.181541 (E_RNA)
where:
Base-Base interactions energy: -41.849
where: short stacking energy: -33.515
Base-Backbone interact. energy: -0.016
local terms energy: -51.316203
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -83.097038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.097038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.097038 (E_RNA)
where:
Base-Base interactions energy: -29.530
where: short stacking energy: -26.948
Base-Backbone interact. energy: -0.172
local terms energy: -53.395157
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -86.527676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.527676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.527676 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.034
local terms energy: -53.348737
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -8.440
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: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -75.058721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.058721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.058721 (E_RNA)
where:
Base-Base interactions energy: -25.717
where: short stacking energy: -24.216
Base-Backbone interact. energy: 0.019
local terms energy: -49.359945
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -207.622457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.622457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.622457 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -64.037
Base-Backbone interact. energy: -0.053
local terms energy: -73.283882
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -190.958999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.958999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.958999 (E_RNA)
where:
Base-Base interactions energy: -119.122
where: short stacking energy: -66.972
Base-Backbone interact. energy: -2.407
local terms energy: -69.429609
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -9.888
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: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -178.163969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.163969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.163969 (E_RNA)
where:
Base-Base interactions energy: -113.998
where: short stacking energy: -50.409
Base-Backbone interact. energy: -1.248
local terms energy: -62.917375
where:
bonds (distance) C4'-P energy: -8.159
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -164.382876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.382876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.382876 (E_RNA)
where:
Base-Base interactions energy: -96.553
where: short stacking energy: -59.608
Base-Backbone interact. energy: -0.006
local terms energy: -67.824254
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -141.486992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.486992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.486992 (E_RNA)
where:
Base-Base interactions energy: -86.156
where: short stacking energy: -48.598
Base-Backbone interact. energy: -0.207
local terms energy: -55.123731
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -157.750217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.750217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.750217 (E_RNA)
where:
Base-Base interactions energy: -88.644
where: short stacking energy: -47.710
Base-Backbone interact. energy: -0.002
local terms energy: -69.104460
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -102.158686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.158686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.158686 (E_RNA)
where:
Base-Base interactions energy: -43.141
where: short stacking energy: -36.185
Base-Backbone interact. energy: -1.157
local terms energy: -57.860711
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -90.744047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.744047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.744047 (E_RNA)
where:
Base-Base interactions energy: -40.900
where: short stacking energy: -39.301
Base-Backbone interact. energy: -0.077
local terms energy: -49.766779
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -82.007714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.007714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.007714 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -22.576
Base-Backbone interact. energy: -0.054
local terms energy: -49.137257
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -83.788067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.788067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.788067 (E_RNA)
where:
Base-Base interactions energy: -32.142
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.090
local terms energy: -51.556205
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -3.414
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: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -187.900838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.900838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.900838 (E_RNA)
where:
Base-Base interactions energy: -121.368
where: short stacking energy: -53.138
Base-Backbone interact. energy: -0.704
local terms energy: -65.828677
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -13.106
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: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -209.648359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.648359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.648359 (E_RNA)
where:
Base-Base interactions energy: -135.790
where: short stacking energy: -57.715
Base-Backbone interact. energy: -0.053
local terms energy: -73.805300
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.790
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: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -183.767476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.767476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.767476 (E_RNA)
where:
Base-Base interactions energy: -112.741
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.123
local terms energy: -70.903903
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -152.360834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.360834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.360834 (E_RNA)
where:
Base-Base interactions energy: -85.270
where: short stacking energy: -49.153
Base-Backbone interact. energy: -1.200
local terms energy: -65.890873
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -148.316711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.316711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.316711 (E_RNA)
where:
Base-Base interactions energy: -97.195
where: short stacking energy: -48.386
Base-Backbone interact. energy: -0.173
local terms energy: -50.949534
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -10.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -161.240363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.240363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.240363 (E_RNA)
where:
Base-Base interactions energy: -101.917
where: short stacking energy: -60.334
Base-Backbone interact. energy: -0.194
local terms energy: -59.129459
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -109.385180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.385180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.385180 (E_RNA)
where:
Base-Base interactions energy: -53.101
where: short stacking energy: -31.422
Base-Backbone interact. energy: 1.149
local terms energy: -57.432597
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -5.105
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: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -82.002097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.002097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.002097 (E_RNA)
where:
Base-Base interactions energy: -29.822
where: short stacking energy: -29.822
Base-Backbone interact. energy: -0.303
local terms energy: -51.877076
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: 1.581
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: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -76.467530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.467530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.467530 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -27.425
Base-Backbone interact. energy: -0.723
local terms energy: -43.100317
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -3.369
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: 155
Temperature: 1.350000
Total energy: -82.135630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.135630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.135630 (E_RNA)
where:
Base-Base interactions energy: -33.348
where: short stacking energy: -32.964
Base-Backbone interact. energy: 0.240
local terms energy: -49.028043
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -225.116447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.116447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.116447 (E_RNA)
where:
Base-Base interactions energy: -147.037
where: short stacking energy: -79.117
Base-Backbone interact. energy: -0.272
local terms energy: -77.807371
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -189.428745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.428745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.428745 (E_RNA)
where:
Base-Base interactions energy: -125.928
where: short stacking energy: -49.916
Base-Backbone interact. energy: -0.790
local terms energy: -62.710313
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -179.242636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.242636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.242636 (E_RNA)
where:
Base-Base interactions energy: -107.719
where: short stacking energy: -59.086
Base-Backbone interact. energy: -0.095
local terms energy: -71.428332
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -165.107761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.107761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.107761 (E_RNA)
where:
Base-Base interactions energy: -102.688
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.100
local terms energy: -62.319275
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.811
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: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -156.209213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.209213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.209213 (E_RNA)
where:
Base-Base interactions energy: -94.998
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.081
local terms energy: -61.130245
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -9.605
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: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -128.056528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.056528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.056528 (E_RNA)
where:
Base-Base interactions energy: -74.796
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.114
local terms energy: -53.145953
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -1.306
tors. eta vs tors. theta energy: -5.316
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: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -96.707992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.707992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.707992 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -36.863
Base-Backbone interact. energy: -1.684
local terms energy: -55.776725
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -88.832228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.832228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.832228 (E_RNA)
where:
Base-Base interactions energy: -38.838
where: short stacking energy: -38.838
Base-Backbone interact. energy: -0.009
local terms energy: -49.985838
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -8.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -76.283210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.283210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.283210 (E_RNA)
where:
Base-Base interactions energy: -31.939
where: short stacking energy: -24.782
Base-Backbone interact. energy: -0.179
local terms energy: -44.165229
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: 0.415
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: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -80.871055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.871055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.871055 (E_RNA)
where:
Base-Base interactions energy: -25.634
where: short stacking energy: -25.634
Base-Backbone interact. energy: -0.754
local terms energy: -54.483025
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -219.563156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.563156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.563156 (E_RNA)
where:
Base-Base interactions energy: -138.567
where: short stacking energy: -65.700
Base-Backbone interact. energy: -0.963
local terms energy: -80.032932
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -192.257784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.257784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.257784 (E_RNA)
where:
Base-Base interactions energy: -116.504
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.003
local terms energy: -75.751513
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -12.771
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: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -179.015047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.015047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.015047 (E_RNA)
where:
Base-Base interactions energy: -116.113
where: short stacking energy: -46.339
Base-Backbone interact. energy: -0.190
local terms energy: -62.712745
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -170.565433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.565433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.565433 (E_RNA)
where:
Base-Base interactions energy: -110.624
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.002
local terms energy: -59.939253
where:
bonds (distance) C4'-P energy: -6.682
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.093
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: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -162.108711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.108711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.108711 (E_RNA)
where:
Base-Base interactions energy: -100.425
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.183
local terms energy: -61.501109
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -143.075986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.075986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.075986 (E_RNA)
where:
Base-Base interactions energy: -76.855
where: short stacking energy: -42.525
Base-Backbone interact. energy: -0.299
local terms energy: -65.922182
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -88.830661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.830661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.830661 (E_RNA)
where:
Base-Base interactions energy: -27.076
where: short stacking energy: -23.924
Base-Backbone interact. energy: -0.215
local terms energy: -61.539352
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -91.427094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.427094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.427094 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -30.431
Base-Backbone interact. energy: 0.782
local terms energy: -56.746608
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -75.049461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.049461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.049461 (E_RNA)
where:
Base-Base interactions energy: -30.268
where: short stacking energy: -29.263
Base-Backbone interact. energy: 0.480
local terms energy: -45.262199
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -81.413618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.413618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.413618 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -30.975
Base-Backbone interact. energy: -0.106
local terms energy: -45.455534
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -208.013721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.013721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.013721 (E_RNA)
where:
Base-Base interactions energy: -125.952
where: short stacking energy: -73.249
Base-Backbone interact. energy: -1.047
local terms energy: -81.014572
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -210.485252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.485252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.485252 (E_RNA)
where:
Base-Base interactions energy: -136.048
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.001
local terms energy: -74.436025
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -20.910
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: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -170.200066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.200066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.200066 (E_RNA)
where:
Base-Base interactions energy: -113.661
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.049
local terms energy: -56.490154
where:
bonds (distance) C4'-P energy: -4.543
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -184.722269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.722269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.722269 (E_RNA)
where:
Base-Base interactions energy: -111.711
where: short stacking energy: -57.556
Base-Backbone interact. energy: -0.001
local terms energy: -73.009766
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -16.693
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: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -162.183494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.183494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.183494 (E_RNA)
where:
Base-Base interactions energy: -99.318
where: short stacking energy: -54.581
Base-Backbone interact. energy: -0.268
local terms energy: -62.597952
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -148.986008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.986008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.986008 (E_RNA)
where:
Base-Base interactions energy: -85.856
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.780
local terms energy: -62.350088
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -100.031906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.031906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.031906 (E_RNA)
where:
Base-Base interactions energy: -47.883
where: short stacking energy: -47.883
Base-Backbone interact. energy: -0.217
local terms energy: -51.931711
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -82.413027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.413027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.413027 (E_RNA)
where:
Base-Base interactions energy: -39.633
where: short stacking energy: -25.729
Base-Backbone interact. energy: -0.652
local terms energy: -42.127925
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -77.057504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.057504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.057504 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -33.293
Base-Backbone interact. energy: -0.188
local terms energy: -43.577467
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -7.740
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: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -76.631331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.631331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.631331 (E_RNA)
where:
Base-Base interactions energy: -33.751
where: short stacking energy: -26.595
Base-Backbone interact. energy: -0.354
local terms energy: -42.526154
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -3.151
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -202.358367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.358367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.358367 (E_RNA)
where:
Base-Base interactions energy: -118.776
where: short stacking energy: -68.892
Base-Backbone interact. energy: -0.002
local terms energy: -83.580621
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -190.518369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.518369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.518369 (E_RNA)
where:
Base-Base interactions energy: -118.451
where: short stacking energy: -72.650
Base-Backbone interact. energy: -0.026
local terms energy: -72.040600
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -195.577069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.577069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.577069 (E_RNA)
where:
Base-Base interactions energy: -125.416
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.160
local terms energy: -70.000427
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -11.257
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: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -178.607955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.607955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.607955 (E_RNA)
where:
Base-Base interactions energy: -109.595
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.019
local terms energy: -68.993778
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -15.529
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: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -158.773056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.773056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.773056 (E_RNA)
where:
Base-Base interactions energy: -96.393
where: short stacking energy: -57.534
Base-Backbone interact. energy: -0.085
local terms energy: -62.295629
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -12.704
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: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -156.491358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.491358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.491358 (E_RNA)
where:
Base-Base interactions energy: -89.019
where: short stacking energy: -46.739
Base-Backbone interact. energy: -0.057
local terms energy: -67.415268
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -79.090753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.090753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.090753 (E_RNA)
where:
Base-Base interactions energy: -37.315
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.258
local terms energy: -41.517840
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -95.751562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.751562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.751562 (E_RNA)
where:
Base-Base interactions energy: -38.526
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.026
local terms energy: -57.199139
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -95.920524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.920524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.920524 (E_RNA)
where:
Base-Base interactions energy: -34.260
where: short stacking energy: -34.925
Base-Backbone interact. energy: -0.590
local terms energy: -61.070441
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -6.331
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: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -79.059641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.059641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.059641 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.648
local terms energy: -47.526315
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -1.948
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: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -198.797311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.797311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.797311 (E_RNA)
where:
Base-Base interactions energy: -122.637
where: short stacking energy: -75.559
Base-Backbone interact. energy: -0.004
local terms energy: -76.156432
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -195.471821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.471821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.471821 (E_RNA)
where:
Base-Base interactions energy: -119.912
where: short stacking energy: -59.990
Base-Backbone interact. energy: -0.003
local terms energy: -75.557014
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -184.185515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.185515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.185515 (E_RNA)
where:
Base-Base interactions energy: -119.719
where: short stacking energy: -55.479
Base-Backbone interact. energy: -0.702
local terms energy: -63.764363
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -178.488816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.488816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.488816 (E_RNA)
where:
Base-Base interactions energy: -106.165
where: short stacking energy: -54.813
Base-Backbone interact. energy: -2.417
local terms energy: -69.906725
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -151.201378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.201378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.201378 (E_RNA)
where:
Base-Base interactions energy: -96.635
where: short stacking energy: -50.268
Base-Backbone interact. energy: 1.107
local terms energy: -55.673231
where:
bonds (distance) C4'-P energy: -5.254
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -5.735
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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -152.380091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.380091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.380091 (E_RNA)
where:
Base-Base interactions energy: -93.662
where: short stacking energy: -41.237
Base-Backbone interact. energy: -0.225
local terms energy: -58.493020
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -8.470
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: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -101.178269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.178269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.178269 (E_RNA)
where:
Base-Base interactions energy: -49.813
where: short stacking energy: -39.773
Base-Backbone interact. energy: 0.724
local terms energy: -52.089289
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -85.738461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.738461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.738461 (E_RNA)
where:
Base-Base interactions energy: -32.552
where: short stacking energy: -30.774
Base-Backbone interact. energy: -0.224
local terms energy: -52.961680
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -88.758542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.758542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.758542 (E_RNA)
where:
Base-Base interactions energy: -33.221
where: short stacking energy: -23.836
Base-Backbone interact. energy: -0.228
local terms energy: -55.309137
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -77.793483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.793483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.793483 (E_RNA)
where:
Base-Base interactions energy: -24.344
where: short stacking energy: -22.382
Base-Backbone interact. energy: -0.530
local terms energy: -52.919416
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -176.230532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.230532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.230532 (E_RNA)
where:
Base-Base interactions energy: -107.241
where: short stacking energy: -60.215
Base-Backbone interact. energy: -0.078
local terms energy: -68.911066
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -181.063409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.063409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.063409 (E_RNA)
where:
Base-Base interactions energy: -104.385
where: short stacking energy: -59.399
Base-Backbone interact. energy: -0.455
local terms energy: -76.222571
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -192.763428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.763428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.763428 (E_RNA)
where:
Base-Base interactions energy: -116.807
where: short stacking energy: -72.805
Base-Backbone interact. energy: -0.488
local terms energy: -75.467873
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -12.267
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: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -159.910269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.910269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.910269 (E_RNA)
where:
Base-Base interactions energy: -89.895
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.004
local terms energy: -70.011740
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -150.180023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.180023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.180023 (E_RNA)
where:
Base-Base interactions energy: -93.291
where: short stacking energy: -54.149
Base-Backbone interact. energy: -0.103
local terms energy: -56.786592
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -9.874
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -5.882
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: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -156.152869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.152869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.152869 (E_RNA)
where:
Base-Base interactions energy: -94.239
where: short stacking energy: -45.058
Base-Backbone interact. energy: 1.020
local terms energy: -62.933710
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -94.384157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.384157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.384157 (E_RNA)
where:
Base-Base interactions energy: -50.257
where: short stacking energy: -29.213
Base-Backbone interact. energy: -1.308
local terms energy: -42.818923
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -1.583
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -91.755568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.755568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.755568 (E_RNA)
where:
Base-Base interactions energy: -37.393
where: short stacking energy: -24.470
Base-Backbone interact. energy: -0.421
local terms energy: -53.940867
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -5.608
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: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -85.597207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.597207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.597207 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -37.822
Base-Backbone interact. energy: 0.323
local terms energy: -48.097497
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -2.180
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: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -70.787153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.787153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.787153 (E_RNA)
where:
Base-Base interactions energy: -31.857
where: short stacking energy: -31.067
Base-Backbone interact. energy: -0.182
local terms energy: -38.748107
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -6.435
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -196.071526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.071526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.071526 (E_RNA)
where:
Base-Base interactions energy: -123.287
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.002
local terms energy: -72.782634
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -174.226757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.226757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.226757 (E_RNA)
where:
Base-Base interactions energy: -97.807
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.002
local terms energy: -76.417374
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -191.465118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.465118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.465118 (E_RNA)
where:
Base-Base interactions energy: -123.888
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.004
local terms energy: -67.572888
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -168.958949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.958949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.958949 (E_RNA)
where:
Base-Base interactions energy: -105.140
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.122
local terms energy: -63.696511
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.009
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: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -151.678721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.678721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.678721 (E_RNA)
where:
Base-Base interactions energy: -91.983
where: short stacking energy: -38.417
Base-Backbone interact. energy: -0.235
local terms energy: -59.460789
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -10.035
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: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -150.835419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.835419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.835419 (E_RNA)
where:
Base-Base interactions energy: -86.096
where: short stacking energy: -44.295
Base-Backbone interact. energy: -0.594
local terms energy: -64.145408
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -123.456216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.456216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.456216 (E_RNA)
where:
Base-Base interactions energy: -58.582
where: short stacking energy: -40.891
Base-Backbone interact. energy: -0.343
local terms energy: -64.531067
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -87.475831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.475831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.475831 (E_RNA)
where:
Base-Base interactions energy: -31.918
where: short stacking energy: -32.718
Base-Backbone interact. energy: -0.129
local terms energy: -55.429360
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -6.653
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: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -85.292304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.292304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.292304 (E_RNA)
where:
Base-Base interactions energy: -43.938
where: short stacking energy: -22.489
Base-Backbone interact. energy: -0.416
local terms energy: -40.938177
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: 1.720
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: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -74.820464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.820464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.820464 (E_RNA)
where:
Base-Base interactions energy: -28.721
where: short stacking energy: -26.066
Base-Backbone interact. energy: -0.258
local terms energy: -45.842157
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -1.000
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: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -188.555130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.555130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.555130 (E_RNA)
where:
Base-Base interactions energy: -126.490
where: short stacking energy: -61.712
Base-Backbone interact. energy: 0.831
local terms energy: -62.896207
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -12.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -187.998538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998538 (E_RNA)
where:
Base-Base interactions energy: -112.036
where: short stacking energy: -57.467
Base-Backbone interact. energy: -0.006
local terms energy: -75.957255
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.935
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: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -171.394867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.394867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.394867 (E_RNA)
where:
Base-Base interactions energy: -103.721
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.008
local terms energy: -67.665078
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -161.778021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.778021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.778021 (E_RNA)
where:
Base-Base interactions energy: -96.916
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.087
local terms energy: -64.774617
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -153.394813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.394813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.394813 (E_RNA)
where:
Base-Base interactions energy: -91.035
where: short stacking energy: -41.900
Base-Backbone interact. energy: -0.018
local terms energy: -62.341402
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -146.681233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.681233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.681233 (E_RNA)
where:
Base-Base interactions energy: -83.149
where: short stacking energy: -46.118
Base-Backbone interact. energy: -0.107
local terms energy: -63.425820
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -10.687
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: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -107.135294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.135294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.135294 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -22.533
Base-Backbone interact. energy: -0.342
local terms energy: -58.717036
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -87.021778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.021778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.021778 (E_RNA)
where:
Base-Base interactions energy: -40.067
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.230
local terms energy: -46.724086
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -84.815478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.815478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.815478 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -22.371
Base-Backbone interact. energy: 0.519
local terms energy: -58.199273
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -3.550
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: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -78.071414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.071414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.071414 (E_RNA)
where:
Base-Base interactions energy: -25.927
where: short stacking energy: -18.105
Base-Backbone interact. energy: -0.137
local terms energy: -52.007548
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -12.275
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: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -173.367750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.367750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.367750 (E_RNA)
where:
Base-Base interactions energy: -101.768
where: short stacking energy: -58.441
Base-Backbone interact. energy: -1.023
local terms energy: -70.576904
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -189.732995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.732995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.732995 (E_RNA)
where:
Base-Base interactions energy: -119.676
where: short stacking energy: -53.558
Base-Backbone interact. energy: 0.070
local terms energy: -70.127384
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -179.880062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.880062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.880062 (E_RNA)
where:
Base-Base interactions energy: -115.677
where: short stacking energy: -52.765
Base-Backbone interact. energy: -1.067
local terms energy: -63.136255
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -179.694796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.694796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.694796 (E_RNA)
where:
Base-Base interactions energy: -108.060
where: short stacking energy: -65.313
Base-Backbone interact. energy: -0.793
local terms energy: -70.842288
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -148.630529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.630529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.630529 (E_RNA)
where:
Base-Base interactions energy: -92.328
where: short stacking energy: -45.423
Base-Backbone interact. energy: -0.587
local terms energy: -55.715265
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -154.003587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.003587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.003587 (E_RNA)
where:
Base-Base interactions energy: -90.969
where: short stacking energy: -46.398
Base-Backbone interact. energy: -0.109
local terms energy: -62.925289
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -14.094
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: 164
Temperature: 1.200000
Total energy: -89.040321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.040321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.040321 (E_RNA)
where:
Base-Base interactions energy: -36.100
where: short stacking energy: -20.272
Base-Backbone interact. energy: -0.502
local terms energy: -52.437708
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -9.832
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: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -123.490567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.490567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.490567 (E_RNA)
where:
Base-Base interactions energy: -63.656
where: short stacking energy: -38.442
Base-Backbone interact. energy: -0.138
local terms energy: -59.696401
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.106
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: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -84.020056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.020056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.020056 (E_RNA)
where:
Base-Base interactions energy: -23.897
where: short stacking energy: -23.897
Base-Backbone interact. energy: -0.003
local terms energy: -60.120238
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -74.592898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.592898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.592898 (E_RNA)
where:
Base-Base interactions energy: -27.994
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.316
local terms energy: -46.282942
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -174.441417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.441417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.441417 (E_RNA)
where:
Base-Base interactions energy: -104.338
where: short stacking energy: -49.872
Base-Backbone interact. energy: -3.026
local terms energy: -67.077804
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -181.576979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.576979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.576979 (E_RNA)
where:
Base-Base interactions energy: -117.561
where: short stacking energy: -58.123
Base-Backbone interact. energy: 0.214
local terms energy: -64.229978
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -12.727
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: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -174.736505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.736505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.736505 (E_RNA)
where:
Base-Base interactions energy: -102.421
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.003
local terms energy: -72.312336
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -181.617456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.617456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.617456 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -70.052
Base-Backbone interact. energy: -0.106
local terms energy: -63.945355
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -20.534
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: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -155.282662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.282662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.282662 (E_RNA)
where:
Base-Base interactions energy: -97.624
where: short stacking energy: -44.059
Base-Backbone interact. energy: -0.112
local terms energy: -57.545878
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -9.408
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: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -153.221274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.221274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.221274 (E_RNA)
where:
Base-Base interactions energy: -92.647
where: short stacking energy: -32.880
Base-Backbone interact. energy: -0.104
local terms energy: -60.470758
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -93.068673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.068673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.068673 (E_RNA)
where:
Base-Base interactions energy: -46.511
where: short stacking energy: -26.830
Base-Backbone interact. energy: -0.072
local terms energy: -46.485753
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -1.051
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: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -103.364874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.364874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.364874 (E_RNA)
where:
Base-Base interactions energy: -53.106
where: short stacking energy: -36.526
Base-Backbone interact. energy: -0.028
local terms energy: -50.230559
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -82.465752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.465752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.465752 (E_RNA)
where:
Base-Base interactions energy: -28.666
where: short stacking energy: -26.259
Base-Backbone interact. energy: 0.395
local terms energy: -54.195266
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -8.950
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: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -84.383451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.383451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.383451 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.144
local terms energy: -49.881607
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -178.717422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.717422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.717422 (E_RNA)
where:
Base-Base interactions energy: -103.419
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.002
local terms energy: -75.295732
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -194.771106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.771106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.771106 (E_RNA)
where:
Base-Base interactions energy: -118.843
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.245
local terms energy: -75.683957
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -168.751623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.751623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.751623 (E_RNA)
where:
Base-Base interactions energy: -103.658
where: short stacking energy: -55.657
Base-Backbone interact. energy: -0.393
local terms energy: -64.700444
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -13.710
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: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -171.844839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.844839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.844839 (E_RNA)
where:
Base-Base interactions energy: -107.575
where: short stacking energy: -61.232
Base-Backbone interact. energy: -0.001
local terms energy: -64.269346
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -146.268366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.268366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.268366 (E_RNA)
where:
Base-Base interactions energy: -83.413
where: short stacking energy: -41.325
Base-Backbone interact. energy: 0.124
local terms energy: -62.979513
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -152.989711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.989711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.989711 (E_RNA)
where:
Base-Base interactions energy: -88.273
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.086
local terms energy: -64.630367
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -10.589
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: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -103.322156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.322156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.322156 (E_RNA)
where:
Base-Base interactions energy: -45.188
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.039
local terms energy: -58.095897
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -5.006
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: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -109.156373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.156373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.156373 (E_RNA)
where:
Base-Base interactions energy: -47.931
where: short stacking energy: -47.931
Base-Backbone interact. energy: -0.001
local terms energy: -61.224783
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -84.493276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.493276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.493276 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -30.486
Base-Backbone interact. energy: -0.333
local terms energy: -39.463526
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -4.748
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -82.712238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.712238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.712238 (E_RNA)
where:
Base-Base interactions energy: -30.559
where: short stacking energy: -29.871
Base-Backbone interact. energy: -0.384
local terms energy: -51.769524
where:
bonds (distance) C4'-P energy: -7.499
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -172.213483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.213483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.213483 (E_RNA)
where:
Base-Base interactions energy: -106.071
where: short stacking energy: -48.531
Base-Backbone interact. energy: -0.127
local terms energy: -66.015375
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -198.833615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.833615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.833615 (E_RNA)
where:
Base-Base interactions energy: -123.545
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.019
local terms energy: -75.269989
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -18.031
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: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -169.538717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.538717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.538717 (E_RNA)
where:
Base-Base interactions energy: -101.296
where: short stacking energy: -55.229
Base-Backbone interact. energy: -3.236
local terms energy: -65.006822
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -168.925310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.925310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.925310 (E_RNA)
where:
Base-Base interactions energy: -99.168
where: short stacking energy: -55.960
Base-Backbone interact. energy: -0.084
local terms energy: -69.673258
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -149.642407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.642407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.642407 (E_RNA)
where:
Base-Base interactions energy: -91.955
where: short stacking energy: -53.781
Base-Backbone interact. energy: -0.120
local terms energy: -57.567752
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -9.277
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: 167
Temperature: 1.150000
Total energy: -136.274429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.274429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.274429 (E_RNA)
where:
Base-Base interactions energy: -85.040
where: short stacking energy: -40.820
Base-Backbone interact. energy: -0.445
local terms energy: -50.789033
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -94.019126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.019126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.019126 (E_RNA)
where:
Base-Base interactions energy: -44.191
where: short stacking energy: -44.191
Base-Backbone interact. energy: 1.003
local terms energy: -50.831174
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -8.577
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -8.066
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: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -84.277984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.277984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.277984 (E_RNA)
where:
Base-Base interactions energy: -40.548
where: short stacking energy: -23.987
Base-Backbone interact. energy: -0.313
local terms energy: -43.417791
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -3.747
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: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -90.445444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.445444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.445444 (E_RNA)
where:
Base-Base interactions energy: -31.926
where: short stacking energy: -31.926
Base-Backbone interact. energy: -0.107
local terms energy: -58.412271
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -77.384836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.384836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.384836 (E_RNA)
where:
Base-Base interactions energy: -30.541
where: short stacking energy: -16.500
Base-Backbone interact. energy: -0.120
local terms energy: -46.723636
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: 1.962
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: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -199.753137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.753137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.753137 (E_RNA)
where:
Base-Base interactions energy: -131.603
where: short stacking energy: -61.403
Base-Backbone interact. energy: -0.083
local terms energy: -68.067257
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -178.510367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.510367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.510367 (E_RNA)
where:
Base-Base interactions energy: -105.691
where: short stacking energy: -50.957
Base-Backbone interact. energy: -1.683
local terms energy: -71.136163
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -163.004379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.004379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.004379 (E_RNA)
where:
Base-Base interactions energy: -96.207
where: short stacking energy: -47.060
Base-Backbone interact. energy: -0.586
local terms energy: -66.211657
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -9.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -183.454813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.454813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.454813 (E_RNA)
where:
Base-Base interactions energy: -119.616
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.040
local terms energy: -63.798845
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -148.926282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.926282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.926282 (E_RNA)
where:
Base-Base interactions energy: -89.419
where: short stacking energy: -38.625
Base-Backbone interact. energy: -0.601
local terms energy: -58.906733
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -10.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -139.802896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.802896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.802896 (E_RNA)
where:
Base-Base interactions energy: -88.196
where: short stacking energy: -37.959
Base-Backbone interact. energy: -0.448
local terms energy: -51.158828
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -94.317070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.317070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.317070 (E_RNA)
where:
Base-Base interactions energy: -41.810
where: short stacking energy: -40.825
Base-Backbone interact. energy: 1.167
local terms energy: -53.673934
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -81.614082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.614082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.614082 (E_RNA)
where:
Base-Base interactions energy: -32.249
where: short stacking energy: -23.751
Base-Backbone interact. energy: 0.112
local terms energy: -49.477356
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -82.113016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.113016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.113016 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -20.219
Base-Backbone interact. energy: -1.359
local terms energy: -51.193075
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: 0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -109.464192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.464192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.464192 (E_RNA)
where:
Base-Base interactions energy: -68.258
where: short stacking energy: -32.087
Base-Backbone interact. energy: -0.143
local terms energy: -41.063313
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -4.858
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -195.851438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.851438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.851438 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.637
local terms energy: -68.215058
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -197.227590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.227590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.227590 (E_RNA)
where:
Base-Base interactions energy: -120.285
where: short stacking energy: -67.509
Base-Backbone interact. energy: -0.010
local terms energy: -76.932619
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -168.986053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.986053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.986053 (E_RNA)
where:
Base-Base interactions energy: -100.441
where: short stacking energy: -53.086
Base-Backbone interact. energy: -0.248
local terms energy: -68.297461
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -190.604565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.604565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.604565 (E_RNA)
where:
Base-Base interactions energy: -130.133
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.031
local terms energy: -60.440738
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -137.702448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.702448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.702448 (E_RNA)
where:
Base-Base interactions energy: -78.451
where: short stacking energy: -41.660
Base-Backbone interact. energy: -0.164
local terms energy: -59.087653
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -147.754077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.754077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.754077 (E_RNA)
where:
Base-Base interactions energy: -87.194
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.350
local terms energy: -60.209862
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -106.265175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.265175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.265175 (E_RNA)
where:
Base-Base interactions energy: -46.206
where: short stacking energy: -46.133
Base-Backbone interact. energy: -0.021
local terms energy: -60.038100
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -76.552782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.552782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.552782 (E_RNA)
where:
Base-Base interactions energy: -25.624
where: short stacking energy: -24.618
Base-Backbone interact. energy: 1.264
local terms energy: -52.192595
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -81.578169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.578169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.578169 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -32.750
Base-Backbone interact. energy: -0.250
local terms energy: -44.836376
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -4.992
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: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -78.745954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.745954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.745954 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.008
local terms energy: -49.142137
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -202.226404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.226404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.226404 (E_RNA)
where:
Base-Base interactions energy: -126.405
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.121
local terms energy: -75.700112
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -187.511296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.511296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.511296 (E_RNA)
where:
Base-Base interactions energy: -119.712
where: short stacking energy: -51.405
Base-Backbone interact. energy: 0.298
local terms energy: -68.097548
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -179.085845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.085845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.085845 (E_RNA)
where:
Base-Base interactions energy: -110.650
where: short stacking energy: -63.029
Base-Backbone interact. energy: 0.111
local terms energy: -68.546725
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -170.040770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.040770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.040770 (E_RNA)
where:
Base-Base interactions energy: -101.923
where: short stacking energy: -56.438
Base-Backbone interact. energy: -0.019
local terms energy: -68.098923
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -165.541790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.541790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.541790 (E_RNA)
where:
Base-Base interactions energy: -95.744
where: short stacking energy: -55.009
Base-Backbone interact. energy: -0.002
local terms energy: -69.795500
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -147.964844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.964844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.964844 (E_RNA)
where:
Base-Base interactions energy: -93.765
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.147
local terms energy: -54.052985
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -148.781561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.781561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.781561 (E_RNA)
where:
Base-Base interactions energy: -84.264
where: short stacking energy: -49.941
Base-Backbone interact. energy: -1.164
local terms energy: -63.353487
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -11.393
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: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -80.535241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.535241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.535241 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -30.747
Base-Backbone interact. energy: 0.527
local terms energy: -44.134655
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -9.068
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -78.741282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.741282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.741282 (E_RNA)
where:
Base-Base interactions energy: -32.091
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.337
local terms energy: -46.313008
where:
bonds (distance) C4'-P energy: -6.555
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -84.264607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.264607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.264607 (E_RNA)
where:
Base-Base interactions energy: -30.688
where: short stacking energy: -29.485
Base-Backbone interact. energy: -0.069
local terms energy: -53.507782
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -8.348
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: 171
Temperature: 0.900000
Total energy: -200.627217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.627217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.627217 (E_RNA)
where:
Base-Base interactions energy: -135.164
where: short stacking energy: -69.966
Base-Backbone interact. energy: -0.014
local terms energy: -65.449091
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -7.452
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: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -182.627942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.627942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.627942 (E_RNA)
where:
Base-Base interactions energy: -108.434
where: short stacking energy: -62.387
Base-Backbone interact. energy: -2.105
local terms energy: -72.089128
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -173.297643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.297643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.297643 (E_RNA)
where:
Base-Base interactions energy: -102.619
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.088
local terms energy: -70.591210
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -137.485609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.485609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.485609 (E_RNA)
where:
Base-Base interactions energy: -68.747
where: short stacking energy: -45.462
Base-Backbone interact. energy: -2.177
local terms energy: -66.561823
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -7.976
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: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -143.771371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.771371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.771371 (E_RNA)
where:
Base-Base interactions energy: -80.476
where: short stacking energy: -49.940
Base-Backbone interact. energy: 0.330
local terms energy: -63.625966
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -169.398647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.398647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.398647 (E_RNA)
where:
Base-Base interactions energy: -106.886
where: short stacking energy: -57.186
Base-Backbone interact. energy: -0.420
local terms energy: -62.092807
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -16.842
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: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -145.755225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.755225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.755225 (E_RNA)
where:
Base-Base interactions energy: -83.922
where: short stacking energy: -48.641
Base-Backbone interact. energy: -0.295
local terms energy: -61.538377
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -81.106474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.106474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.106474 (E_RNA)
where:
Base-Base interactions energy: -32.550
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.006
local terms energy: -48.550850
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -5.712
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: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -72.618566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.618566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.618566 (E_RNA)
where:
Base-Base interactions energy: -25.465
where: short stacking energy: -22.279
Base-Backbone interact. energy: 0.014
local terms energy: -47.167587
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: 0.897
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: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -76.890337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.890337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.890337 (E_RNA)
where:
Base-Base interactions energy: -34.260
where: short stacking energy: -23.841
Base-Backbone interact. energy: -0.083
local terms energy: -42.546933
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: 1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -201.126580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.126580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.126580 (E_RNA)
where:
Base-Base interactions energy: -131.457
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.031
local terms energy: -69.638825
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -184.131937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.131937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.131937 (E_RNA)
where:
Base-Base interactions energy: -117.295
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.146
local terms energy: -66.690718
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -153.660834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.660834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.660834 (E_RNA)
where:
Base-Base interactions energy: -92.397
where: short stacking energy: -44.694
Base-Backbone interact. energy: -0.727
local terms energy: -60.536396
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -9.801
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: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -156.952467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.952467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.952467 (E_RNA)
where:
Base-Base interactions energy: -99.736
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.220
local terms energy: -56.995988
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -162.054416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.054416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.054416 (E_RNA)
where:
Base-Base interactions energy: -93.910
where: short stacking energy: -46.689
Base-Backbone interact. energy: -0.100
local terms energy: -68.044527
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -10.688
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: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -150.792637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.792637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.792637 (E_RNA)
where:
Base-Base interactions energy: -87.456
where: short stacking energy: -45.269
Base-Backbone interact. energy: -0.054
local terms energy: -63.281979
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -11.116
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: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -140.429776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.429776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.429776 (E_RNA)
where:
Base-Base interactions energy: -74.463
where: short stacking energy: -44.772
Base-Backbone interact. energy: -0.062
local terms energy: -65.904443
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -89.597896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.597896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.597896 (E_RNA)
where:
Base-Base interactions energy: -42.844
where: short stacking energy: -18.451
Base-Backbone interact. energy: -0.189
local terms energy: -46.565037
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -93.035942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.035942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.035942 (E_RNA)
where:
Base-Base interactions energy: -31.949
where: short stacking energy: -31.949
Base-Backbone interact. energy: 0.059
local terms energy: -61.146514
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -81.220310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.220310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.220310 (E_RNA)
where:
Base-Base interactions energy: -29.632
where: short stacking energy: -23.516
Base-Backbone interact. energy: -0.345
local terms energy: -51.243907
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -4.378
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: 173
Temperature: 0.900000
Total energy: -207.740921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.740921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.740921 (E_RNA)
where:
Base-Base interactions energy: -125.154
where: short stacking energy: -67.828
Base-Backbone interact. energy: -0.124
local terms energy: -82.462712
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -185.614974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.614974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.614974 (E_RNA)
where:
Base-Base interactions energy: -118.712
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.527
local terms energy: -66.375974
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -154.704583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.704583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.704583 (E_RNA)
where:
Base-Base interactions energy: -95.579
where: short stacking energy: -52.187
Base-Backbone interact. energy: 0.169
local terms energy: -59.294379
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -167.594952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.594952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.594952 (E_RNA)
where:
Base-Base interactions energy: -96.624
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.407
local terms energy: -70.563726
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -121.769797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.769797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.769797 (E_RNA)
where:
Base-Base interactions energy: -56.395
where: short stacking energy: -56.395
Base-Backbone interact. energy: -0.001
local terms energy: -65.373691
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -18.046
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: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -160.963461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.963461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.963461 (E_RNA)
where:
Base-Base interactions energy: -91.458
where: short stacking energy: -49.149
Base-Backbone interact. energy: -0.742
local terms energy: -68.763894
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -14.973
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: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -144.464812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.464812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.464812 (E_RNA)
where:
Base-Base interactions energy: -84.466
where: short stacking energy: -44.284
Base-Backbone interact. energy: -0.685
local terms energy: -59.314060
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -90.445804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.445804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.445804 (E_RNA)
where:
Base-Base interactions energy: -33.548
where: short stacking energy: -27.485
Base-Backbone interact. energy: -0.647
local terms energy: -56.250279
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -6.587
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: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -86.083459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.083459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.083459 (E_RNA)
where:
Base-Base interactions energy: -39.208
where: short stacking energy: -27.382
Base-Backbone interact. energy: 0.424
local terms energy: -47.299931
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -0.718
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: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -72.335407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.335407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.335407 (E_RNA)
where:
Base-Base interactions energy: -24.197
where: short stacking energy: -21.084
Base-Backbone interact. energy: -0.131
local terms energy: -48.007374
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -209.454853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.454853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.454853 (E_RNA)
where:
Base-Base interactions energy: -134.627
where: short stacking energy: -76.869
Base-Backbone interact. energy: -1.216
local terms energy: -73.611728
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -189.775554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.775554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.775554 (E_RNA)
where:
Base-Base interactions energy: -116.062
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.435
local terms energy: -73.278445
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -174.473653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.473653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.473653 (E_RNA)
where:
Base-Base interactions energy: -103.753
where: short stacking energy: -57.422
Base-Backbone interact. energy: -1.838
local terms energy: -68.882346
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -12.336
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: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -168.969562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.969562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.969562 (E_RNA)
where:
Base-Base interactions energy: -101.111
where: short stacking energy: -55.767
Base-Backbone interact. energy: -0.223
local terms energy: -67.634792
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -179.198845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.198845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.198845 (E_RNA)
where:
Base-Base interactions energy: -103.894
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.609
local terms energy: -74.695456
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -12.211
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: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -101.314465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.314465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.314465 (E_RNA)
where:
Base-Base interactions energy: -45.673
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.065
local terms energy: -55.577057
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -142.255810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.255810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.255810 (E_RNA)
where:
Base-Base interactions energy: -89.800
where: short stacking energy: -37.730
Base-Backbone interact. energy: -0.074
local terms energy: -52.381904
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -99.836506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.836506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.836506 (E_RNA)
where:
Base-Base interactions energy: -46.695
where: short stacking energy: -37.973
Base-Backbone interact. energy: -0.044
local terms energy: -53.097171
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -9.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -81.229768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.229768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.229768 (E_RNA)
where:
Base-Base interactions energy: -27.633
where: short stacking energy: -24.136
Base-Backbone interact. energy: -0.209
local terms energy: -53.388043
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -76.926711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.926711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.926711 (E_RNA)
where:
Base-Base interactions energy: -32.535
where: short stacking energy: -24.636
Base-Backbone interact. energy: -0.016
local terms energy: -44.376134
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -212.960684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.960684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.960684 (E_RNA)
where:
Base-Base interactions energy: -133.174
where: short stacking energy: -71.037
Base-Backbone interact. energy: -2.805
local terms energy: -76.981745
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -197.139822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.139822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.139822 (E_RNA)
where:
Base-Base interactions energy: -117.939
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.091
local terms energy: -79.109849
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -177.446632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.446632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.446632 (E_RNA)
where:
Base-Base interactions energy: -112.602
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.170
local terms energy: -64.674678
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -16.395
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: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -180.739549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.739549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.739549 (E_RNA)
where:
Base-Base interactions energy: -108.482
where: short stacking energy: -59.805
Base-Backbone interact. energy: -0.187
local terms energy: -72.070568
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -154.174274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.174274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.174274 (E_RNA)
where:
Base-Base interactions energy: -90.378
where: short stacking energy: -47.217
Base-Backbone interact. energy: 1.212
local terms energy: -65.008436
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -87.003620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.003620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.003620 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -25.576
Base-Backbone interact. energy: -0.630
local terms energy: -49.358486
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -0.316
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: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -100.081239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.081239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.081239 (E_RNA)
where:
Base-Base interactions energy: -42.323
where: short stacking energy: -25.210
Base-Backbone interact. energy: -0.701
local terms energy: -57.057641
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -3.051
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: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -93.129596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.129596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.129596 (E_RNA)
where:
Base-Base interactions energy: -39.828
where: short stacking energy: -39.365
Base-Backbone interact. energy: -0.104
local terms energy: -53.197468
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -8.002
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: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -92.323735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.323735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.323735 (E_RNA)
where:
Base-Base interactions energy: -50.337
where: short stacking energy: -27.515
Base-Backbone interact. energy: -0.339
local terms energy: -41.648142
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -0.499
tors. eta vs tors. theta energy: 0.380
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: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -83.307823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.307823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.307823 (E_RNA)
where:
Base-Base interactions energy: -34.189
where: short stacking energy: -16.134
Base-Backbone interact. energy: -0.218
local terms energy: -48.900552
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: 2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -206.730567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.730567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.730567 (E_RNA)
where:
Base-Base interactions energy: -131.395
where: short stacking energy: -74.273
Base-Backbone interact. energy: -0.111
local terms energy: -75.224943
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -211.360025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.360025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.360025 (E_RNA)
where:
Base-Base interactions energy: -128.566
where: short stacking energy: -77.357
Base-Backbone interact. energy: -0.005
local terms energy: -82.789486
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -22.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -204.985660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.985660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.985660 (E_RNA)
where:
Base-Base interactions energy: -132.697
where: short stacking energy: -71.390
Base-Backbone interact. energy: -0.007
local terms energy: -72.281675
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -175.829715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.829715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.829715 (E_RNA)
where:
Base-Base interactions energy: -100.223
where: short stacking energy: -53.698
Base-Backbone interact. energy: -0.607
local terms energy: -75.000288
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -16.736
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: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -146.403692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.403692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.403692 (E_RNA)
where:
Base-Base interactions energy: -80.438
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.114
local terms energy: -65.851653
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -95.443463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.443463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.443463 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.036
local terms energy: -62.670825
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -112.206365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.206365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.206365 (E_RNA)
where:
Base-Base interactions energy: -51.789
where: short stacking energy: -38.105
Base-Backbone interact. energy: -0.122
local terms energy: -60.295786
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -73.843897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.843897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.843897 (E_RNA)
where:
Base-Base interactions energy: -27.745
where: short stacking energy: -26.408
Base-Backbone interact. energy: -0.093
local terms energy: -46.006271
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -82.353986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.353986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.353986 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -29.580
Base-Backbone interact. energy: 1.125
local terms energy: -51.204317
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -69.246014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.246014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.246014 (E_RNA)
where:
Base-Base interactions energy: -28.303
where: short stacking energy: -23.826
Base-Backbone interact. energy: -0.089
local terms energy: -40.853738
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -8.604
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: 0.359
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -212.322097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.322097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.322097 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.713
local terms energy: -77.965824
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -206.990993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.990993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.990993 (E_RNA)
where:
Base-Base interactions energy: -135.871
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.040
local terms energy: -71.079989
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -172.969412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.969412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.969412 (E_RNA)
where:
Base-Base interactions energy: -102.639
where: short stacking energy: -52.133
Base-Backbone interact. energy: -0.001
local terms energy: -70.329226
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -15.624
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: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -167.131765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.131765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.131765 (E_RNA)
where:
Base-Base interactions energy: -92.929
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.034
local terms energy: -74.168326
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -152.380144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.380144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.380144 (E_RNA)
where:
Base-Base interactions energy: -82.674
where: short stacking energy: -45.888
Base-Backbone interact. energy: -0.088
local terms energy: -69.617742
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -91.046342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.046342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.046342 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -35.882
Base-Backbone interact. energy: -0.180
local terms energy: -53.056401
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -91.852390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.852390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.852390 (E_RNA)
where:
Base-Base interactions energy: -32.666
where: short stacking energy: -32.666
Base-Backbone interact. energy: -0.376
local terms energy: -58.810621
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -8.625
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: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -93.859462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.859462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.859462 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -36.546
Base-Backbone interact. energy: -0.012
local terms energy: -57.301334
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -7.139
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -97.296275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.296275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.296275 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -24.592
Base-Backbone interact. energy: -0.349
local terms energy: -52.235862
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -92.418521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.418521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.418521 (E_RNA)
where:
Base-Base interactions energy: -46.715
where: short stacking energy: -37.190
Base-Backbone interact. energy: -1.584
local terms energy: -44.118858
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -7.638
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -3.958
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: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -208.481141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.481141 (E_RNA)
where:
Base-Base interactions energy: -132.510
where: short stacking energy: -65.787
Base-Backbone interact. energy: -0.359
local terms energy: -75.612417
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -207.975595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.975595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.975595 (E_RNA)
where:
Base-Base interactions energy: -127.696
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.284
local terms energy: -79.996014
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -162.834055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.834055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.834055 (E_RNA)
where:
Base-Base interactions energy: -94.082
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.032
local terms energy: -68.719954
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -182.902866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.902866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.902866 (E_RNA)
where:
Base-Base interactions energy: -112.607
where: short stacking energy: -69.620
Base-Backbone interact. energy: -0.006
local terms energy: -70.289986
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -145.095954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.095954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.095954 (E_RNA)
where:
Base-Base interactions energy: -87.535
where: short stacking energy: -39.099
Base-Backbone interact. energy: -0.025
local terms energy: -57.535586
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -5.786
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: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -106.322649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.322649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.322649 (E_RNA)
where:
Base-Base interactions energy: -50.835
where: short stacking energy: -26.415
Base-Backbone interact. energy: -0.492
local terms energy: -54.995656
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -104.350733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.350733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.350733 (E_RNA)
where:
Base-Base interactions energy: -53.379
where: short stacking energy: -43.424
Base-Backbone interact. energy: -0.385
local terms energy: -50.587144
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -88.387493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.387493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.387493 (E_RNA)
where:
Base-Base interactions energy: -40.034
where: short stacking energy: -27.755
Base-Backbone interact. energy: -0.011
local terms energy: -48.341587
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -86.362819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.362819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.362819 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -22.683
Base-Backbone interact. energy: -0.137
local terms energy: -56.868702
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -71.916619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.916619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.916619 (E_RNA)
where:
Base-Base interactions energy: -25.562
where: short stacking energy: -23.098
Base-Backbone interact. energy: -0.111
local terms energy: -46.243719
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: 1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -213.275900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.275900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.275900 (E_RNA)
where:
Base-Base interactions energy: -132.610
where: short stacking energy: -70.334
Base-Backbone interact. energy: -0.040
local terms energy: -80.626004
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -201.585438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.585438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.585438 (E_RNA)
where:
Base-Base interactions energy: -126.922
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.042
local terms energy: -74.620838
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -167.661048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.661048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.661048 (E_RNA)
where:
Base-Base interactions energy: -91.613
where: short stacking energy: -48.702
Base-Backbone interact. energy: -0.009
local terms energy: -76.039452
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -174.318603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.318603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.318603 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -52.927
Base-Backbone interact. energy: -0.235
local terms energy: -62.950137
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -10.693
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: 179
Temperature: 1.100000
Total energy: -150.806921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.806921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.806921 (E_RNA)
where:
Base-Base interactions energy: -88.776
where: short stacking energy: -46.955
Base-Backbone interact. energy: 0.109
local terms energy: -62.140658
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -98.426953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.426953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.426953 (E_RNA)
where:
Base-Base interactions energy: -33.879
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.170
local terms energy: -64.377960
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -6.294
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: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -92.522987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.522987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.522987 (E_RNA)
where:
Base-Base interactions energy: -42.188
where: short stacking energy: -34.635
Base-Backbone interact. energy: 0.101
local terms energy: -50.435968
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -1.868
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: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -80.012346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.012346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.012346 (E_RNA)
where:
Base-Base interactions energy: -34.768
where: short stacking energy: -27.814
Base-Backbone interact. energy: 2.025
local terms energy: -47.269356
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -0.263
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: 179
Temperature: 1.300000
Total energy: -81.085386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.085386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.085386 (E_RNA)
where:
Base-Base interactions energy: -26.848
where: short stacking energy: -25.712
Base-Backbone interact. energy: -0.308
local terms energy: -53.929474
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: 0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -81.598374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.598374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.598374 (E_RNA)
where:
Base-Base interactions energy: -32.231
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.041
local terms energy: -49.326121
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -212.512863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.512863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.512863 (E_RNA)
where:
Base-Base interactions energy: -128.486
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.643
local terms energy: -83.384036
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -22.739
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -197.559310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.559310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.559310 (E_RNA)
where:
Base-Base interactions energy: -121.534
where: short stacking energy: -63.699
Base-Backbone interact. energy: 0.258
local terms energy: -76.282557
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -12.144
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: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -172.343311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.343311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.343311 (E_RNA)
where:
Base-Base interactions energy: -107.948
where: short stacking energy: -54.318
Base-Backbone interact. energy: 0.431
local terms energy: -64.826480
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -10.440
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: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -160.699080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.699080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.699080 (E_RNA)
where:
Base-Base interactions energy: -95.990
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.042
local terms energy: -64.666973
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -168.943512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.943512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.943512 (E_RNA)
where:
Base-Base interactions energy: -105.341
where: short stacking energy: -45.672
Base-Backbone interact. energy: -0.087
local terms energy: -63.514921
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -14.584
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: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -105.765184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.765184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.765184 (E_RNA)
where:
Base-Base interactions energy: -39.938
where: short stacking energy: -36.902
Base-Backbone interact. energy: -0.131
local terms energy: -65.697088
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -87.826629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.826629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.826629 (E_RNA)
where:
Base-Base interactions energy: -41.408
where: short stacking energy: -37.048
Base-Backbone interact. energy: 1.490
local terms energy: -47.909198
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -84.714414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.714414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.714414 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.094
local terms energy: -52.150103
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -5.578
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: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -80.022841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.022841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.022841 (E_RNA)
where:
Base-Base interactions energy: -29.556
where: short stacking energy: -21.310
Base-Backbone interact. energy: -0.090
local terms energy: -50.376997
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: 2.334
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: 180
Temperature: 1.350000
Total energy: -79.651852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.651852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.651852 (E_RNA)
where:
Base-Base interactions energy: -28.283
where: short stacking energy: -28.283
Base-Backbone interact. energy: -0.102
local terms energy: -51.266682
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -208.333187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.333187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.333187 (E_RNA)
where:
Base-Base interactions energy: -137.346
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.059
local terms energy: -70.928064
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -207.699214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.699214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.699214 (E_RNA)
where:
Base-Base interactions energy: -131.358
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.159
local terms energy: -76.182466
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -9.933
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: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -166.552809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.552809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.552809 (E_RNA)
where:
Base-Base interactions energy: -100.236
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.095
local terms energy: -66.221788
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -16.113
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: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -181.171219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.171219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.171219 (E_RNA)
where:
Base-Base interactions energy: -114.545
where: short stacking energy: -55.299
Base-Backbone interact. energy: 0.227
local terms energy: -66.853276
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -164.327578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.327578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.327578 (E_RNA)
where:
Base-Base interactions energy: -106.858
where: short stacking energy: -47.698
Base-Backbone interact. energy: -0.033
local terms energy: -57.436227
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -8.119
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: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -110.790400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.790400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.790400 (E_RNA)
where:
Base-Base interactions energy: -56.708
where: short stacking energy: -36.432
Base-Backbone interact. energy: -0.474
local terms energy: -53.608506
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -9.997
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: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -94.896969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.896969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.896969 (E_RNA)
where:
Base-Base interactions energy: -39.929
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.499
local terms energy: -54.469274
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -7.408
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: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -100.909997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.909997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.909997 (E_RNA)
where:
Base-Base interactions energy: -37.201
where: short stacking energy: -37.201
Base-Backbone interact. energy: -0.867
local terms energy: -62.842104
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -87.474498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.474498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.474498 (E_RNA)
where:
Base-Base interactions energy: -31.192
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.142
local terms energy: -56.140223
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -80.644972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.644972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.644972 (E_RNA)
where:
Base-Base interactions energy: -30.060
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.393
local terms energy: -50.191892
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -7.702
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -209.094707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.094707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.094707 (E_RNA)
where:
Base-Base interactions energy: -137.220
where: short stacking energy: -72.568
Base-Backbone interact. energy: 1.789
local terms energy: -73.663766
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -12.864
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: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -195.690220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.690220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.690220 (E_RNA)
where:
Base-Base interactions energy: -120.863
where: short stacking energy: -66.386
Base-Backbone interact. energy: -0.000
local terms energy: -74.826885
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -165.013077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.013077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.013077 (E_RNA)
where:
Base-Base interactions energy: -97.982
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.102
local terms energy: -66.928900
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -182.598788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.598788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.598788 (E_RNA)
where:
Base-Base interactions energy: -112.764
where: short stacking energy: -64.268
Base-Backbone interact. energy: -0.101
local terms energy: -69.733985
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -176.081600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.081600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.081600 (E_RNA)
where:
Base-Base interactions energy: -106.428
where: short stacking energy: -53.235
Base-Backbone interact. energy: -0.016
local terms energy: -69.637494
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -93.360911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.360911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.360911 (E_RNA)
where:
Base-Base interactions energy: -38.531
where: short stacking energy: -38.531
Base-Backbone interact. energy: -0.013
local terms energy: -54.816862
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -86.658413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.658413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.658413 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -31.623
Base-Backbone interact. energy: -0.106
local terms energy: -51.478006
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -86.957173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.957173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.957173 (E_RNA)
where:
Base-Base interactions energy: -31.345
where: short stacking energy: -31.345
Base-Backbone interact. energy: -0.173
local terms energy: -55.439318
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -5.360
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: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -84.164742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164742 (E_RNA)
where:
Base-Base interactions energy: -36.631
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.211
local terms energy: -47.322582
where:
bonds (distance) C4'-P energy: -6.154
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -75.893842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.893842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.893842 (E_RNA)
where:
Base-Base interactions energy: -28.999
where: short stacking energy: -19.115
Base-Backbone interact. energy: -0.186
local terms energy: -46.709110
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -212.556849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.556849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.556849 (E_RNA)
where:
Base-Base interactions energy: -130.911
where: short stacking energy: -66.636
Base-Backbone interact. energy: 1.042
local terms energy: -82.687213
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -194.546639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.546639 (E_RNA)
where:
Base-Base interactions energy: -118.601
where: short stacking energy: -66.430
Base-Backbone interact. energy: -2.124
local terms energy: -73.821017
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -20.456
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: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -189.856599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.856599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.856599 (E_RNA)
where:
Base-Base interactions energy: -123.107
where: short stacking energy: -54.697
Base-Backbone interact. energy: 0.669
local terms energy: -67.418732
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -16.432
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: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -171.023271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.023271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.023271 (E_RNA)
where:
Base-Base interactions energy: -103.100
where: short stacking energy: -53.130
Base-Backbone interact. energy: -0.003
local terms energy: -67.920427
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -166.311050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.311050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.311050 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -48.458
Base-Backbone interact. energy: -0.251
local terms energy: -64.922025
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -9.997
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: 183
Temperature: 1.150000
Total energy: -119.840103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.840103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.840103 (E_RNA)
where:
Base-Base interactions energy: -62.189
where: short stacking energy: -43.101
Base-Backbone interact. energy: -0.154
local terms energy: -57.496363
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -13.837
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: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -86.796809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.796809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.796809 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.117
local terms energy: -54.039817
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -76.340362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.340362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.340362 (E_RNA)
where:
Base-Base interactions energy: -34.005
where: short stacking energy: -34.005
Base-Backbone interact. energy: 1.720
local terms energy: -44.055776
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: -1.987
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: 183
Temperature: 1.300000
Total energy: -81.661635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.661635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.661635 (E_RNA)
where:
Base-Base interactions energy: -33.244
where: short stacking energy: -27.736
Base-Backbone interact. energy: -0.529
local terms energy: -47.889056
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -87.303988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.303988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.303988 (E_RNA)
where:
Base-Base interactions energy: -32.599
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.292
local terms energy: -54.412652
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -5.216
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: 184
Temperature: 0.900000
Total energy: -219.394899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.394899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.394899 (E_RNA)
where:
Base-Base interactions energy: -138.784
where: short stacking energy: -77.701
Base-Backbone interact. energy: -0.088
local terms energy: -80.522932
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -192.257669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.257669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.257669 (E_RNA)
where:
Base-Base interactions energy: -117.916
where: short stacking energy: -63.739
Base-Backbone interact. energy: -0.557
local terms energy: -73.784509
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -12.009
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: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -178.947154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.947154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.947154 (E_RNA)
where:
Base-Base interactions energy: -107.431
where: short stacking energy: -54.329
Base-Backbone interact. energy: -0.290
local terms energy: -71.226406
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -170.301506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.301506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.301506 (E_RNA)
where:
Base-Base interactions energy: -94.957
where: short stacking energy: -55.655
Base-Backbone interact. energy: -1.034
local terms energy: -74.310137
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -8.577
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: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -178.478500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.478500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.478500 (E_RNA)
where:
Base-Base interactions energy: -106.883
where: short stacking energy: -61.150
Base-Backbone interact. energy: -0.065
local terms energy: -71.529951
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -5.979
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: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -115.306423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.306423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.306423 (E_RNA)
where:
Base-Base interactions energy: -58.875
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.811
local terms energy: -55.620649
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -88.059408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.059408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.059408 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -31.607
Base-Backbone interact. energy: -0.053
local terms energy: -55.797973
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -86.709688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.709688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.709688 (E_RNA)
where:
Base-Base interactions energy: -40.406
where: short stacking energy: -26.120
Base-Backbone interact. energy: 0.234
local terms energy: -46.538380
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -7.630
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: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -88.821252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.821252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.821252 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.086
local terms energy: -55.194712
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -4.752
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: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -79.577556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.577556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.577556 (E_RNA)
where:
Base-Base interactions energy: -24.118
where: short stacking energy: -22.354
Base-Backbone interact. energy: 0.258
local terms energy: -55.717578
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -4.213
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: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -209.818314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.818314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.818314 (E_RNA)
where:
Base-Base interactions energy: -128.130
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.052
local terms energy: -81.635528
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -19.959
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: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -206.014946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.014946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.014946 (E_RNA)
where:
Base-Base interactions energy: -129.787
where: short stacking energy: -64.273
Base-Backbone interact. energy: -0.105
local terms energy: -76.123202
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -185.063121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.063121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.063121 (E_RNA)
where:
Base-Base interactions energy: -117.489
where: short stacking energy: -64.395
Base-Backbone interact. energy: -1.837
local terms energy: -65.737334
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -184.999587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.999587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.999587 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.077
local terms energy: -60.866085
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.533
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: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -173.713411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.713411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.713411 (E_RNA)
where:
Base-Base interactions energy: -109.223
where: short stacking energy: -51.112
Base-Backbone interact. energy: -0.097
local terms energy: -64.393603
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -97.374780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.374780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.374780 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -35.001
Base-Backbone interact. energy: -0.704
local terms energy: -61.088556
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -103.455516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.455516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.455516 (E_RNA)
where:
Base-Base interactions energy: -43.498
where: short stacking energy: -37.034
Base-Backbone interact. energy: -0.185
local terms energy: -59.772011
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -97.941369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.941369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.941369 (E_RNA)
where:
Base-Base interactions energy: -44.203
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.298
local terms energy: -53.439939
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -5.225
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -82.982288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.982288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.982288 (E_RNA)
where:
Base-Base interactions energy: -30.241
where: short stacking energy: -30.241
Base-Backbone interact. energy: -0.076
local terms energy: -52.665479
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -79.079974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.079974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.079974 (E_RNA)
where:
Base-Base interactions energy: -26.910
where: short stacking energy: -26.910
Base-Backbone interact. energy: -0.231
local terms energy: -51.938384
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -211.448354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.448354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.448354 (E_RNA)
where:
Base-Base interactions energy: -144.366
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.206
local terms energy: -66.876592
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -206.867653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.867653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.867653 (E_RNA)
where:
Base-Base interactions energy: -131.765
where: short stacking energy: -70.906
Base-Backbone interact. energy: -0.002
local terms energy: -75.100506
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -195.163293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.163293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.163293 (E_RNA)
where:
Base-Base interactions energy: -117.538
where: short stacking energy: -64.370
Base-Backbone interact. energy: -2.229
local terms energy: -75.395872
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -178.926374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.926374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.926374 (E_RNA)
where:
Base-Base interactions energy: -108.662
where: short stacking energy: -60.985
Base-Backbone interact. energy: -0.246
local terms energy: -70.018319
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -156.527284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.527284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.527284 (E_RNA)
where:
Base-Base interactions energy: -93.326
where: short stacking energy: -44.569
Base-Backbone interact. energy: -0.151
local terms energy: -63.050177
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.019
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: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -104.247360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.247360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.247360 (E_RNA)
where:
Base-Base interactions energy: -49.185
where: short stacking energy: -40.680
Base-Backbone interact. energy: -0.046
local terms energy: -55.016396
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -89.506295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.506295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.506295 (E_RNA)
where:
Base-Base interactions energy: -33.763
where: short stacking energy: -33.383
Base-Backbone interact. energy: -0.075
local terms energy: -55.668329
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -88.080894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.080894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.080894 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -38.662
Base-Backbone interact. energy: -0.990
local terms energy: -48.428507
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -87.480440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.480440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.480440 (E_RNA)
where:
Base-Base interactions energy: -26.594
where: short stacking energy: -21.155
Base-Backbone interact. energy: -0.032
local terms energy: -60.854851
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -78.038322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.038322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.038322 (E_RNA)
where:
Base-Base interactions energy: -28.063
where: short stacking energy: -28.063
Base-Backbone interact. energy: -0.069
local terms energy: -49.906507
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -211.439524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.439524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.439524 (E_RNA)
where:
Base-Base interactions energy: -137.804
where: short stacking energy: -61.768
Base-Backbone interact. energy: -0.892
local terms energy: -72.742867
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -187.512603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.512603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.512603 (E_RNA)
where:
Base-Base interactions energy: -121.118
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.012
local terms energy: -66.382358
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -197.840199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.840199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.840199 (E_RNA)
where:
Base-Base interactions energy: -123.096
where: short stacking energy: -66.453
Base-Backbone interact. energy: -2.051
local terms energy: -72.693513
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -180.852119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.852119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.852119 (E_RNA)
where:
Base-Base interactions energy: -112.164
where: short stacking energy: -66.405
Base-Backbone interact. energy: -0.011
local terms energy: -68.677509
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -17.452
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: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -164.541581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.541581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.541581 (E_RNA)
where:
Base-Base interactions energy: -94.786
where: short stacking energy: -53.055
Base-Backbone interact. energy: -0.415
local terms energy: -69.340730
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -114.067840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.067840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.067840 (E_RNA)
where:
Base-Base interactions energy: -59.460
where: short stacking energy: -45.358
Base-Backbone interact. energy: 0.229
local terms energy: -54.837372
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -87.848729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.848729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.848729 (E_RNA)
where:
Base-Base interactions energy: -37.808
where: short stacking energy: -37.808
Base-Backbone interact. energy: -0.103
local terms energy: -49.938188
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -102.698294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.698294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.698294 (E_RNA)
where:
Base-Base interactions energy: -45.143
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.163
local terms energy: -57.391914
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -71.743372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.743372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.743372 (E_RNA)
where:
Base-Base interactions energy: -27.625
where: short stacking energy: -27.625
Base-Backbone interact. energy: -0.038
local terms energy: -44.080621
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -1.122
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: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -84.885884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.885884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.885884 (E_RNA)
where:
Base-Base interactions energy: -42.554
where: short stacking energy: -32.469
Base-Backbone interact. energy: -0.142
local terms energy: -42.189676
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -7.207
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -212.217475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.217475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.217475 (E_RNA)
where:
Base-Base interactions energy: -132.326
where: short stacking energy: -69.078
Base-Backbone interact. energy: -0.007
local terms energy: -79.884002
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -190.775601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.775601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.775601 (E_RNA)
where:
Base-Base interactions energy: -117.220
where: short stacking energy: -65.594
Base-Backbone interact. energy: -0.394
local terms energy: -73.161883
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -191.324485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.324485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.324485 (E_RNA)
where:
Base-Base interactions energy: -112.249
where: short stacking energy: -50.544
Base-Backbone interact. energy: 0.543
local terms energy: -79.618156
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -173.933726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.933726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.933726 (E_RNA)
where:
Base-Base interactions energy: -100.775
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.069
local terms energy: -73.088971
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -152.998470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.998470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.998470 (E_RNA)
where:
Base-Base interactions energy: -92.796
where: short stacking energy: -47.533
Base-Backbone interact. energy: -0.026
local terms energy: -60.176728
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -12.053
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: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -106.148876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.148876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.148876 (E_RNA)
where:
Base-Base interactions energy: -44.321
where: short stacking energy: -41.308
Base-Backbone interact. energy: -0.164
local terms energy: -61.664014
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -8.541
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: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -92.730855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.730855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.730855 (E_RNA)
where:
Base-Base interactions energy: -37.568
where: short stacking energy: -37.568
Base-Backbone interact. energy: -0.060
local terms energy: -55.103044
where:
bonds (distance) C4'-P energy: -10.018
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -95.726270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.726270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.726270 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -37.117
Base-Backbone interact. energy: -0.138
local terms energy: -58.471889
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -86.041504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.041504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.041504 (E_RNA)
where:
Base-Base interactions energy: -37.801
where: short stacking energy: -22.795
Base-Backbone interact. energy: -1.777
local terms energy: -46.464210
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -0.220
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: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -77.594056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.594056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.594056 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -16.277
Base-Backbone interact. energy: 1.036
local terms energy: -40.579314
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: 5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -215.938681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.938681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.938681 (E_RNA)
where:
Base-Base interactions energy: -141.617
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.001
local terms energy: -74.320991
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -197.884338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.884338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.884338 (E_RNA)
where:
Base-Base interactions energy: -115.813
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.028
local terms energy: -82.043026
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -195.522106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.522106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.522106 (E_RNA)
where:
Base-Base interactions energy: -114.751
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.413
local terms energy: -80.358380
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -164.596403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.596403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.596403 (E_RNA)
where:
Base-Base interactions energy: -92.836
where: short stacking energy: -50.309
Base-Backbone interact. energy: -0.052
local terms energy: -71.708944
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -15.070
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: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -166.990686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.990686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.990686 (E_RNA)
where:
Base-Base interactions energy: -101.266
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.045
local terms energy: -65.679522
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -7.824
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: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -101.757491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.757491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.757491 (E_RNA)
where:
Base-Base interactions energy: -50.456
where: short stacking energy: -35.292
Base-Backbone interact. energy: -0.154
local terms energy: -51.147938
where:
bonds (distance) C4'-P energy: -7.494
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -7.755
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -96.870797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.870797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.870797 (E_RNA)
where:
Base-Base interactions energy: -43.432
where: short stacking energy: -43.432
Base-Backbone interact. energy: -0.002
local terms energy: -53.436982
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -91.903966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.903966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.903966 (E_RNA)
where:
Base-Base interactions energy: -41.072
where: short stacking energy: -39.186
Base-Backbone interact. energy: 0.169
local terms energy: -51.001144
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -12.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -74.323014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.323014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.323014 (E_RNA)
where:
Base-Base interactions energy: -32.446
where: short stacking energy: -30.671
Base-Backbone interact. energy: -0.196
local terms energy: -41.681298
where:
bonds (distance) C4'-P energy: -6.158
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -2.976
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: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -75.863970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.863970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.863970 (E_RNA)
where:
Base-Base interactions energy: -23.034
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.335
local terms energy: -52.495162
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: 3.000
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: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -211.460951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.460951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.460951 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -70.598
Base-Backbone interact. energy: -0.969
local terms energy: -71.250051
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -17.560
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: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -202.372578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.372578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.372578 (E_RNA)
where:
Base-Base interactions energy: -131.561
where: short stacking energy: -75.159
Base-Backbone interact. energy: -0.005
local terms energy: -70.806602
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -182.181857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.181857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.181857 (E_RNA)
where:
Base-Base interactions energy: -111.357
where: short stacking energy: -56.071
Base-Backbone interact. energy: -0.069
local terms energy: -70.755635
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -196.173639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.173639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.173639 (E_RNA)
where:
Base-Base interactions energy: -122.918
where: short stacking energy: -74.562
Base-Backbone interact. energy: -0.001
local terms energy: -73.254868
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.032
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: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -155.570047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.570047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.570047 (E_RNA)
where:
Base-Base interactions energy: -96.728
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.001
local terms energy: -58.840551
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -0.532
tors. eta vs tors. theta energy: -13.190
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: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -103.569213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569213 (E_RNA)
where:
Base-Base interactions energy: -45.728
where: short stacking energy: -27.125
Base-Backbone interact. energy: 0.534
local terms energy: -58.374574
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -107.961827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.961827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.961827 (E_RNA)
where:
Base-Base interactions energy: -46.903
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.002
local terms energy: -61.056357
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -85.801997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.801997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.801997 (E_RNA)
where:
Base-Base interactions energy: -36.425
where: short stacking energy: -31.785
Base-Backbone interact. energy: -0.071
local terms energy: -49.306176
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -95.664006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.664006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.664006 (E_RNA)
where:
Base-Base interactions energy: -45.261
where: short stacking energy: -40.209
Base-Backbone interact. energy: -0.110
local terms energy: -50.292386
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -7.142
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: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -89.083921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.083921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.083921 (E_RNA)
where:
Base-Base interactions energy: -42.000
where: short stacking energy: -35.389
Base-Backbone interact. energy: -0.404
local terms energy: -46.680464
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -209.274611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.274611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.274611 (E_RNA)
where:
Base-Base interactions energy: -134.923
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.037
local terms energy: -74.314481
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -10.668
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: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -199.510847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.510847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.510847 (E_RNA)
where:
Base-Base interactions energy: -123.390
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.004
local terms energy: -76.116387
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -168.958228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.958228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.958228 (E_RNA)
where:
Base-Base interactions energy: -99.818
where: short stacking energy: -51.005
Base-Backbone interact. energy: -0.002
local terms energy: -69.137957
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -198.200459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.200459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.200459 (E_RNA)
where:
Base-Base interactions energy: -131.784
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.730
local terms energy: -65.686150
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -148.859598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.859598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.859598 (E_RNA)
where:
Base-Base interactions energy: -85.908
where: short stacking energy: -54.889
Base-Backbone interact. energy: -0.046
local terms energy: -62.905419
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -5.727
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: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -98.502946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.502946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.502946 (E_RNA)
where:
Base-Base interactions energy: -46.618
where: short stacking energy: -41.164
Base-Backbone interact. energy: 0.005
local terms energy: -51.889688
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -99.722048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.722048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.722048 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -24.142
Base-Backbone interact. energy: -0.463
local terms energy: -52.746483
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -87.035823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.035823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.035823 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -33.837
Base-Backbone interact. energy: -0.106
local terms energy: -53.093362
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -10.218
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: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -82.872190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.872190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.872190 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -26.263
Base-Backbone interact. energy: -0.298
local terms energy: -42.467549
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -5.365
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: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -90.748202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.748202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.748202 (E_RNA)
where:
Base-Base interactions energy: -44.490
where: short stacking energy: -37.910
Base-Backbone interact. energy: -0.170
local terms energy: -46.089119
where:
bonds (distance) C4'-P energy: -6.510
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -205.923305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.923305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.923305 (E_RNA)
where:
Base-Base interactions energy: -126.785
where: short stacking energy: -70.749
Base-Backbone interact. energy: -0.005
local terms energy: -79.133897
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -21.729
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: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -210.225566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.225566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.225566 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -63.417
Base-Backbone interact. energy: -0.046
local terms energy: -73.357829
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -183.813859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.813859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.813859 (E_RNA)
where:
Base-Base interactions energy: -107.984
where: short stacking energy: -58.639
Base-Backbone interact. energy: -1.727
local terms energy: -74.102610
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -16.404
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: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -149.524441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.524441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.524441 (E_RNA)
where:
Base-Base interactions energy: -83.491
where: short stacking energy: -46.157
Base-Backbone interact. energy: -0.307
local terms energy: -65.725861
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.189
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: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -151.455488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.455488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.455488 (E_RNA)
where:
Base-Base interactions energy: -93.650
where: short stacking energy: -56.768
Base-Backbone interact. energy: -0.938
local terms energy: -56.866967
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -11.266
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: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -98.830510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.830510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.830510 (E_RNA)
where:
Base-Base interactions energy: -59.931
where: short stacking energy: -34.501
Base-Backbone interact. energy: -0.306
local terms energy: -38.594072
where:
bonds (distance) C4'-P energy: -6.473
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -101.870074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.870074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.870074 (E_RNA)
where:
Base-Base interactions energy: -45.145
where: short stacking energy: -40.879
Base-Backbone interact. energy: 0.620
local terms energy: -57.344852
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -84.730146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.730146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.730146 (E_RNA)
where:
Base-Base interactions energy: -26.975
where: short stacking energy: -26.975
Base-Backbone interact. energy: -0.377
local terms energy: -57.377224
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -2.809
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: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -77.940778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.940778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.940778 (E_RNA)
where:
Base-Base interactions energy: -28.326
where: short stacking energy: -22.602
Base-Backbone interact. energy: -2.127
local terms energy: -47.487855
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -88.148894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.148894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.148894 (E_RNA)
where:
Base-Base interactions energy: -38.593
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.072
local terms energy: -49.484117
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -209.795572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.795572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.795572 (E_RNA)
where:
Base-Base interactions energy: -131.578
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.005
local terms energy: -78.213184
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -212.892236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.892236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.892236 (E_RNA)
where:
Base-Base interactions energy: -137.172
where: short stacking energy: -62.868
Base-Backbone interact. energy: -0.011
local terms energy: -75.709547
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -170.027613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.027613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.027613 (E_RNA)
where:
Base-Base interactions energy: -110.301
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.357
local terms energy: -59.370059
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -3.276
tors. eta vs tors. theta energy: -13.814
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: 193
Temperature: 1.050000
Total energy: -166.479492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.479492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.479492 (E_RNA)
where:
Base-Base interactions energy: -99.491
where: short stacking energy: -49.393
Base-Backbone interact. energy: -0.003
local terms energy: -66.985617
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -161.238263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.238263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.238263 (E_RNA)
where:
Base-Base interactions energy: -101.455
where: short stacking energy: -49.146
Base-Backbone interact. energy: -0.314
local terms energy: -59.469930
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -7.182
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: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -90.472008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.472008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.472008 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.605
local terms energy: -56.811400
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -94.338016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.338016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.338016 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -36.843
Base-Backbone interact. energy: -0.908
local terms energy: -56.586597
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -96.126112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.126112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.126112 (E_RNA)
where:
Base-Base interactions energy: -45.634
where: short stacking energy: -32.164
Base-Backbone interact. energy: -0.078
local terms energy: -50.414590
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -80.500836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.500836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.500836 (E_RNA)
where:
Base-Base interactions energy: -35.034
where: short stacking energy: -23.487
Base-Backbone interact. energy: 1.030
local terms energy: -46.497463
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -5.915
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -1.781
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: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -85.977322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.977322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.977322 (E_RNA)
where:
Base-Base interactions energy: -40.385
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.072
local terms energy: -45.519916
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -7.479
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -218.225459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.225459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.225459 (E_RNA)
where:
Base-Base interactions energy: -134.883
where: short stacking energy: -70.583
Base-Backbone interact. energy: -0.165
local terms energy: -83.178150
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -202.485581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.485581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.485581 (E_RNA)
where:
Base-Base interactions energy: -129.591
where: short stacking energy: -71.881
Base-Backbone interact. energy: -2.174
local terms energy: -70.719992
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -20.652
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: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -186.439734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.439734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.439734 (E_RNA)
where:
Base-Base interactions energy: -119.248
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.002
local terms energy: -67.189439
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -7.447
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: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -172.150541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.150541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.150541 (E_RNA)
where:
Base-Base interactions energy: -100.544
where: short stacking energy: -57.958
Base-Backbone interact. energy: -1.072
local terms energy: -70.534637
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -6.870
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: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -166.531356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.531356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.531356 (E_RNA)
where:
Base-Base interactions energy: -95.743
where: short stacking energy: -49.663
Base-Backbone interact. energy: -0.411
local terms energy: -70.377304
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -100.149035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.149035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.149035 (E_RNA)
where:
Base-Base interactions energy: -43.621
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.119
local terms energy: -56.409621
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -100.924666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.924666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.924666 (E_RNA)
where:
Base-Base interactions energy: -51.111
where: short stacking energy: -33.456
Base-Backbone interact. energy: 1.179
local terms energy: -50.991954
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -8.012
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -84.258950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.258950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.258950 (E_RNA)
where:
Base-Base interactions energy: -34.932
where: short stacking energy: -33.247
Base-Backbone interact. energy: -0.583
local terms energy: -48.743675
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -80.048769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.048769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.048769 (E_RNA)
where:
Base-Base interactions energy: -26.768
where: short stacking energy: -21.470
Base-Backbone interact. energy: -0.154
local terms energy: -53.127236
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -3.447
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: 194
Temperature: 1.350000
Total energy: -81.112784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.112784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.112784 (E_RNA)
where:
Base-Base interactions energy: -28.150
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.005
local terms energy: -52.958684
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -211.765722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.765722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.765722 (E_RNA)
where:
Base-Base interactions energy: -132.526
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.032
local terms energy: -79.207331
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -19.197
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: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -203.580335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.580335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.580335 (E_RNA)
where:
Base-Base interactions energy: -129.216
where: short stacking energy: -67.897
Base-Backbone interact. energy: -0.031
local terms energy: -74.333848
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -186.257230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.257230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.257230 (E_RNA)
where:
Base-Base interactions energy: -115.314
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.212
local terms energy: -70.731457
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -150.326125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.326125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.326125 (E_RNA)
where:
Base-Base interactions energy: -85.131
where: short stacking energy: -49.464
Base-Backbone interact. energy: -2.161
local terms energy: -63.034007
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -12.979
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: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -163.681057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.681057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.681057 (E_RNA)
where:
Base-Base interactions energy: -96.176
where: short stacking energy: -52.931
Base-Backbone interact. energy: 1.909
local terms energy: -69.414505
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -114.530331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.530331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.530331 (E_RNA)
where:
Base-Base interactions energy: -62.491
where: short stacking energy: -47.982
Base-Backbone interact. energy: -0.013
local terms energy: -52.026300
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -2.127
tors. eta vs tors. theta energy: -9.259
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: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -98.262151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.262151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.262151 (E_RNA)
where:
Base-Base interactions energy: -50.037
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.098
local terms energy: -48.127874
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -85.917999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.917999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.917999 (E_RNA)
where:
Base-Base interactions energy: -38.223
where: short stacking energy: -24.464
Base-Backbone interact. energy: -0.120
local terms energy: -47.575606
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -1.683
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: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -89.979632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.979632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.979632 (E_RNA)
where:
Base-Base interactions energy: -28.479
where: short stacking energy: -27.718
Base-Backbone interact. energy: -0.125
local terms energy: -61.376054
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -72.455204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.455204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.455204 (E_RNA)
where:
Base-Base interactions energy: -22.109
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.156
local terms energy: -50.190453
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -215.883061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.883061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.883061 (E_RNA)
where:
Base-Base interactions energy: -142.714
where: short stacking energy: -69.713
Base-Backbone interact. energy: -1.680
local terms energy: -71.488507
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -213.436726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.436726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.436726 (E_RNA)
where:
Base-Base interactions energy: -137.295
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.023
local terms energy: -76.118795
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -21.008
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: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -186.381019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.381019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.381019 (E_RNA)
where:
Base-Base interactions energy: -111.136
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.100
local terms energy: -75.144830
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -13.520
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: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -158.257096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.257096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.257096 (E_RNA)
where:
Base-Base interactions energy: -92.304
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.213
local terms energy: -65.739431
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -155.051546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.051546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.051546 (E_RNA)
where:
Base-Base interactions energy: -89.886
where: short stacking energy: -47.891
Base-Backbone interact. energy: -0.127
local terms energy: -65.038081
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -11.857
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: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -109.935365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.935365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.935365 (E_RNA)
where:
Base-Base interactions energy: -67.181
where: short stacking energy: -42.380
Base-Backbone interact. energy: -0.082
local terms energy: -42.672660
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -4.687
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: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -97.557388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.557388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.557388 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -38.122
Base-Backbone interact. energy: -0.003
local terms energy: -58.206462
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -8.071
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: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -91.660093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.660093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.660093 (E_RNA)
where:
Base-Base interactions energy: -36.575
where: short stacking energy: -31.913
Base-Backbone interact. energy: 1.034
local terms energy: -56.118639
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -5.128
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -75.616439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.616439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.616439 (E_RNA)
where:
Base-Base interactions energy: -25.608
where: short stacking energy: -17.101
Base-Backbone interact. energy: -0.227
local terms energy: -49.781346
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -9.180
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: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -83.206760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.206760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.206760 (E_RNA)
where:
Base-Base interactions energy: -35.428
where: short stacking energy: -26.189
Base-Backbone interact. energy: -0.078
local terms energy: -47.701353
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -219.676763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.676763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.676763 (E_RNA)
where:
Base-Base interactions energy: -142.319
where: short stacking energy: -69.840
Base-Backbone interact. energy: -0.004
local terms energy: -77.353930
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -205.255481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.255481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.255481 (E_RNA)
where:
Base-Base interactions energy: -130.178
where: short stacking energy: -67.654
Base-Backbone interact. energy: -1.062
local terms energy: -74.015813
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -188.724643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.724643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.724643 (E_RNA)
where:
Base-Base interactions energy: -123.554
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.106
local terms energy: -65.065577
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -172.471852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.471852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.471852 (E_RNA)
where:
Base-Base interactions energy: -99.646
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.363
local terms energy: -72.463099
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -145.233988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.233988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.233988 (E_RNA)
where:
Base-Base interactions energy: -84.977
where: short stacking energy: -50.306
Base-Backbone interact. energy: -0.164
local terms energy: -60.092978
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -148.663066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.663066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.663066 (E_RNA)
where:
Base-Base interactions energy: -81.635
where: short stacking energy: -41.009
Base-Backbone interact. energy: -0.135
local terms energy: -66.892460
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -10.458
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: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -90.395319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.395319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.395319 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -31.326
Base-Backbone interact. energy: -0.679
local terms energy: -50.678030
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -7.968
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -97.605354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.605354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.605354 (E_RNA)
where:
Base-Base interactions energy: -43.081
where: short stacking energy: -36.578
Base-Backbone interact. energy: -0.197
local terms energy: -54.326957
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -6.101
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: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -86.541485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.541485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.541485 (E_RNA)
where:
Base-Base interactions energy: -37.437
where: short stacking energy: -24.752
Base-Backbone interact. energy: -0.184
local terms energy: -48.921056
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -76.035652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.035652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.035652 (E_RNA)
where:
Base-Base interactions energy: -34.153
where: short stacking energy: -28.366
Base-Backbone interact. energy: 1.120
local terms energy: -43.002653
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -1.200
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: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -215.931870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.931870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.931870 (E_RNA)
where:
Base-Base interactions energy: -129.754
where: short stacking energy: -76.914
Base-Backbone interact. energy: 0.127
local terms energy: -86.305572
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -209.880797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.880797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.880797 (E_RNA)
where:
Base-Base interactions energy: -133.168
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.298
local terms energy: -76.414342
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -17.234
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: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -186.495059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.495059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.495059 (E_RNA)
where:
Base-Base interactions energy: -117.376
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.393
local terms energy: -68.726384
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -159.506702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.506702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.506702 (E_RNA)
where:
Base-Base interactions energy: -94.797
where: short stacking energy: -52.192
Base-Backbone interact. energy: -0.429
local terms energy: -64.280694
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -157.050438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.050438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.050438 (E_RNA)
where:
Base-Base interactions energy: -95.956
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.026
local terms energy: -61.069260
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -98.164044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.164044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.164044 (E_RNA)
where:
Base-Base interactions energy: -43.139
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.084
local terms energy: -54.941520
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -90.651221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.651221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.651221 (E_RNA)
where:
Base-Base interactions energy: -38.060
where: short stacking energy: -31.380
Base-Backbone interact. energy: 0.174
local terms energy: -52.764708
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -4.999
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -6.720
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: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -88.931075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.931075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.931075 (E_RNA)
where:
Base-Base interactions energy: -46.850
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.135
local terms energy: -41.945664
where:
bonds (distance) C4'-P energy: -3.107
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -79.563322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.563322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.563322 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -27.491
Base-Backbone interact. energy: 1.062
local terms energy: -46.718264
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -88.331112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.331112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.331112 (E_RNA)
where:
Base-Base interactions energy: -38.086
where: short stacking energy: -35.028
Base-Backbone interact. energy: -0.041
local terms energy: -50.203684
where:
bonds (distance) C4'-P energy: -6.944
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -210.954861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.954861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.954861 (E_RNA)
where:
Base-Base interactions energy: -136.877
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.000
local terms energy: -74.078201
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -214.569980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.569980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.569980 (E_RNA)
where:
Base-Base interactions energy: -147.368
where: short stacking energy: -64.629
Base-Backbone interact. energy: -0.440
local terms energy: -66.761611
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -188.516797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.516797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.516797 (E_RNA)
where:
Base-Base interactions energy: -114.485
where: short stacking energy: -64.413
Base-Backbone interact. energy: -0.010
local terms energy: -74.021546
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.474
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: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -160.372850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.372850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.372850 (E_RNA)
where:
Base-Base interactions energy: -96.684
where: short stacking energy: -49.852
Base-Backbone interact. energy: -0.034
local terms energy: -63.654023
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -10.798
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: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -148.088661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.088661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.088661 (E_RNA)
where:
Base-Base interactions energy: -85.264
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.064
local terms energy: -62.761374
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -99.076648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.076648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.076648 (E_RNA)
where:
Base-Base interactions energy: -54.612
where: short stacking energy: -42.903
Base-Backbone interact. energy: -0.083
local terms energy: -44.381373
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -84.702034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.702034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.702034 (E_RNA)
where:
Base-Base interactions energy: -29.488
where: short stacking energy: -26.456
Base-Backbone interact. energy: -0.295
local terms energy: -54.919619
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -83.817170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.817170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.817170 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -22.928
Base-Backbone interact. energy: -0.533
local terms energy: -49.665652
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -8.983
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: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -85.593537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593537 (E_RNA)
where:
Base-Base interactions energy: -36.682
where: short stacking energy: -16.661
Base-Backbone interact. energy: -0.244
local terms energy: -48.667474
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -91.334470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334470 (E_RNA)
where:
Base-Base interactions energy: -46.683
where: short stacking energy: -29.427
Base-Backbone interact. energy: -1.580
local terms energy: -43.071892
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -203.398670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.398670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.398670 (E_RNA)
where:
Base-Base interactions energy: -130.914
where: short stacking energy: -70.682
Base-Backbone interact. energy: -1.896
local terms energy: -70.588893
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -213.691137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.691137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.691137 (E_RNA)
where:
Base-Base interactions energy: -137.103
where: short stacking energy: -70.357
Base-Backbone interact. energy: -1.742
local terms energy: -74.846574
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -14.757
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: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -189.010889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.010889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.010889 (E_RNA)
where:
Base-Base interactions energy: -129.270
where: short stacking energy: -76.707
Base-Backbone interact. energy: -0.017
local terms energy: -59.723983
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -8.248
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: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -159.109298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.109298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.109298 (E_RNA)
where:
Base-Base interactions energy: -101.095
where: short stacking energy: -60.969
Base-Backbone interact. energy: -0.632
local terms energy: -57.382052
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -166.729319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.729319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.729319 (E_RNA)
where:
Base-Base interactions energy: -97.055
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.077
local terms energy: -69.597706
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -97.343207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.343207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.343207 (E_RNA)
where:
Base-Base interactions energy: -39.365
where: short stacking energy: -39.073
Base-Backbone interact. energy: -0.158
local terms energy: -57.819386
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -87.173684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.173684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.173684 (E_RNA)
where:
Base-Base interactions energy: -38.148
where: short stacking energy: -16.885
Base-Backbone interact. energy: -0.344
local terms energy: -48.680912
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: 3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -92.522208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.522208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.522208 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -28.611
Base-Backbone interact. energy: -0.177
local terms energy: -55.556932
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -90.327654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.327654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.327654 (E_RNA)
where:
Base-Base interactions energy: -40.469
where: short stacking energy: -31.953
Base-Backbone interact. energy: -0.069
local terms energy: -49.788919
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -85.569894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.569894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.569894 (E_RNA)
where:
Base-Base interactions energy: -41.533
where: short stacking energy: -27.563
Base-Backbone interact. energy: -0.016
local terms energy: -44.020776
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -199.366116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.366116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.366116 (E_RNA)
where:
Base-Base interactions energy: -123.129
where: short stacking energy: -61.044
Base-Backbone interact. energy: -0.025
local terms energy: -76.212976
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -202.667015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.667015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.667015 (E_RNA)
where:
Base-Base interactions energy: -138.801
where: short stacking energy: -59.796
Base-Backbone interact. energy: 1.131
local terms energy: -64.996832
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -179.481229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.481229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.481229 (E_RNA)
where:
Base-Base interactions energy: -101.137
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.008
local terms energy: -78.336320
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -9.235
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: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -182.240100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.240100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.240100 (E_RNA)
where:
Base-Base interactions energy: -114.054
where: short stacking energy: -48.425
Base-Backbone interact. energy: -0.100
local terms energy: -68.086300
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -156.273935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.273935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.273935 (E_RNA)
where:
Base-Base interactions energy: -101.463
where: short stacking energy: -48.603
Base-Backbone interact. energy: 1.498
local terms energy: -56.309394
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -100.135249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.135249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.135249 (E_RNA)
where:
Base-Base interactions energy: -42.879
where: short stacking energy: -39.705
Base-Backbone interact. energy: -0.264
local terms energy: -56.992604
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -84.294284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.294284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.294284 (E_RNA)
where:
Base-Base interactions energy: -38.093
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.004
local terms energy: -46.198107
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -82.799252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.799252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.799252 (E_RNA)
where:
Base-Base interactions energy: -33.114
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.179
local terms energy: -49.506100
where:
bonds (distance) C4'-P energy: -5.533
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -87.472529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.472529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.472529 (E_RNA)
where:
Base-Base interactions energy: -32.285
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.200
local terms energy: -54.987466
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -4.856
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -74.996796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.996796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.996796 (E_RNA)
where:
Base-Base interactions energy: -34.984
where: short stacking energy: -33.253
Base-Backbone interact. energy: 0.747
local terms energy: -40.759917
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -7.057
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: 0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -205.268777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.268777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.268777 (E_RNA)
where:
Base-Base interactions energy: -134.765
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.486
local terms energy: -70.017457
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -6.268
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: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -190.564705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.564705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.564705 (E_RNA)
where:
Base-Base interactions energy: -109.620
where: short stacking energy: -57.856
Base-Backbone interact. energy: -0.025
local terms energy: -80.920317
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -187.523239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.523239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.523239 (E_RNA)
where:
Base-Base interactions energy: -122.558
where: short stacking energy: -58.845
Base-Backbone interact. energy: -0.010
local terms energy: -64.954788
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -172.353899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.353899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.353899 (E_RNA)
where:
Base-Base interactions energy: -104.708
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.235
local terms energy: -67.410635
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -153.188519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.188519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.188519 (E_RNA)
where:
Base-Base interactions energy: -96.440
where: short stacking energy: -46.382
Base-Backbone interact. energy: 0.453
local terms energy: -57.201755
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -97.614771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.614771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.614771 (E_RNA)
where:
Base-Base interactions energy: -41.696
where: short stacking energy: -41.696
Base-Backbone interact. energy: -0.155
local terms energy: -55.764081
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -100.279257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.279257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.279257 (E_RNA)
where:
Base-Base interactions energy: -42.891
where: short stacking energy: -42.891
Base-Backbone interact. energy: -0.400
local terms energy: -56.987501
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: -7.722
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: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -84.515284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.515284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.515284 (E_RNA)
where:
Base-Base interactions energy: -39.031
where: short stacking energy: -23.876
Base-Backbone interact. energy: -0.017
local terms energy: -45.466389
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: 1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -91.089022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.089022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.089022 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -39.190
Base-Backbone interact. energy: -0.274
local terms energy: -45.674203
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -0.833
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -78.646955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.646955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.646955 (E_RNA)
where:
Base-Base interactions energy: -38.237
where: short stacking energy: -23.542
Base-Backbone interact. energy: -0.122
local terms energy: -40.287948
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -4.037
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -209.817659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.817659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.817659 (E_RNA)
where:
Base-Base interactions energy: -139.861
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.001
local terms energy: -69.955302
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -14.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -206.844095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.844095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.844095 (E_RNA)
where:
Base-Base interactions energy: -132.373
where: short stacking energy: -72.058
Base-Backbone interact. energy: 1.818
local terms energy: -76.289524
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -192.867212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.867212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.867212 (E_RNA)
where:
Base-Base interactions energy: -126.225
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.118
local terms energy: -66.524107
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -165.749452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.749452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.749452 (E_RNA)
where:
Base-Base interactions energy: -102.728
where: short stacking energy: -42.464
Base-Backbone interact. energy: 0.073
local terms energy: -63.094297
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -10.230
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: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -149.134802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.134802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.134802 (E_RNA)
where:
Base-Base interactions energy: -90.356
where: short stacking energy: -46.473
Base-Backbone interact. energy: 0.615
local terms energy: -59.393650
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -11.474
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: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -99.520817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.520817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.520817 (E_RNA)
where:
Base-Base interactions energy: -38.204
where: short stacking energy: -33.220
Base-Backbone interact. energy: 0.128
local terms energy: -61.444271
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -89.981579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.981579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.981579 (E_RNA)
where:
Base-Base interactions energy: -34.617
where: short stacking energy: -21.530
Base-Backbone interact. energy: -0.523
local terms energy: -54.841484
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -2.961
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: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -89.609784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.609784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.609784 (E_RNA)
where:
Base-Base interactions energy: -43.375
where: short stacking energy: -30.348
Base-Backbone interact. energy: 1.071
local terms energy: -47.305035
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -9.963
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -2.623
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: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -85.449377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.449377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.449377 (E_RNA)
where:
Base-Base interactions energy: -33.299
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.289
local terms energy: -51.861331
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -83.123528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.123528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.123528 (E_RNA)
where:
Base-Base interactions energy: -40.000
where: short stacking energy: -33.912
Base-Backbone interact. energy: 0.081
local terms energy: -43.204729
where:
bonds (distance) C4'-P energy: -7.446
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -211.303930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.303930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.303930 (E_RNA)
where:
Base-Base interactions energy: -129.275
where: short stacking energy: -69.528
Base-Backbone interact. energy: -0.009
local terms energy: -82.019548
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -208.001366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.001366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.001366 (E_RNA)
where:
Base-Base interactions energy: -129.572
where: short stacking energy: -71.585
Base-Backbone interact. energy: -0.004
local terms energy: -78.425784
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -20.862
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: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -167.631075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.631075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.631075 (E_RNA)
where:
Base-Base interactions energy: -99.725
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.114
local terms energy: -67.791928
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.628
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: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -190.736566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.736566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.736566 (E_RNA)
where:
Base-Base interactions energy: -128.529
where: short stacking energy: -64.606
Base-Backbone interact. energy: -0.346
local terms energy: -61.861491
where:
bonds (distance) C4'-P energy: -5.918
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -146.627544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.627544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.627544 (E_RNA)
where:
Base-Base interactions energy: -77.946
where: short stacking energy: -39.010
Base-Backbone interact. energy: -0.454
local terms energy: -68.227660
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -113.506011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.506011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.506011 (E_RNA)
where:
Base-Base interactions energy: -58.014
where: short stacking energy: -33.099
Base-Backbone interact. energy: -0.823
local terms energy: -54.669152
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -3.626
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: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -86.080124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.080124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.080124 (E_RNA)
where:
Base-Base interactions energy: -28.936
where: short stacking energy: -28.936
Base-Backbone interact. energy: -0.189
local terms energy: -56.955765
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -84.687844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687844 (E_RNA)
where:
Base-Base interactions energy: -30.648
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.350
local terms energy: -53.690317
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -80.664332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.664332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.664332 (E_RNA)
where:
Base-Base interactions energy: -28.590
where: short stacking energy: -28.590
Base-Backbone interact. energy: -0.108
local terms energy: -51.966365
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -4.906
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: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -81.307914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.307914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.307914 (E_RNA)
where:
Base-Base interactions energy: -28.005
where: short stacking energy: -26.189
Base-Backbone interact. energy: -0.069
local terms energy: -53.234021
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -205.198450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.198450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.198450 (E_RNA)
where:
Base-Base interactions energy: -131.374
where: short stacking energy: -68.279
Base-Backbone interact. energy: -0.000
local terms energy: -73.824241
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -197.350607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.350607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.350607 (E_RNA)
where:
Base-Base interactions energy: -120.541
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.553
local terms energy: -76.257303
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -160.529378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.529378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.529378 (E_RNA)
where:
Base-Base interactions energy: -93.191
where: short stacking energy: -60.282
Base-Backbone interact. energy: -0.001
local terms energy: -67.337009
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.041
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: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -187.177508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.177508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.177508 (E_RNA)
where:
Base-Base interactions energy: -112.678
where: short stacking energy: -64.529
Base-Backbone interact. energy: -1.209
local terms energy: -73.290290
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -154.349553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.349553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.349553 (E_RNA)
where:
Base-Base interactions energy: -92.295
where: short stacking energy: -53.395
Base-Backbone interact. energy: -0.266
local terms energy: -61.788415
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -98.866520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.866520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.866520 (E_RNA)
where:
Base-Base interactions energy: -45.233
where: short stacking energy: -44.125
Base-Backbone interact. energy: 1.195
local terms energy: -54.828292
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -104.438958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.438958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.438958 (E_RNA)
where:
Base-Base interactions energy: -48.691
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.104
local terms energy: -55.644085
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -77.753627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.753627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.753627 (E_RNA)
where:
Base-Base interactions energy: -29.078
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.225
local terms energy: -48.450873
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: 0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -87.620920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.620920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.620920 (E_RNA)
where:
Base-Base interactions energy: -46.036
where: short stacking energy: -24.301
Base-Backbone interact. energy: 0.503
local terms energy: -42.087574
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -71.822043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.822043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.822043 (E_RNA)
where:
Base-Base interactions energy: -21.221
where: short stacking energy: -21.070
Base-Backbone interact. energy: -0.156
local terms energy: -50.445679
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -7.138
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -218.762545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.762545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.762545 (E_RNA)
where:
Base-Base interactions energy: -138.012
where: short stacking energy: -71.875
Base-Backbone interact. energy: -0.113
local terms energy: -80.637641
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -179.101025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.101025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.101025 (E_RNA)
where:
Base-Base interactions energy: -116.402
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.029
local terms energy: -62.669930
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -11.353
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: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -187.017635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.017635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.017635 (E_RNA)
where:
Base-Base interactions energy: -119.748
where: short stacking energy: -52.718
Base-Backbone interact. energy: -0.249
local terms energy: -67.021318
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -149.888534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.888534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.888534 (E_RNA)
where:
Base-Base interactions energy: -89.937
where: short stacking energy: -44.339
Base-Backbone interact. energy: -1.328
local terms energy: -58.623749
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -149.386592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.386592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.386592 (E_RNA)
where:
Base-Base interactions energy: -93.998
where: short stacking energy: -53.817
Base-Backbone interact. energy: -0.001
local terms energy: -55.387313
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -5.221
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: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -112.474497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.474497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.474497 (E_RNA)
where:
Base-Base interactions energy: -56.072
where: short stacking energy: -35.522
Base-Backbone interact. energy: -0.158
local terms energy: -56.244495
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -6.251
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: 206
Temperature: 1.200000
Total energy: -90.714284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.714284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.714284 (E_RNA)
where:
Base-Base interactions energy: -28.525
where: short stacking energy: -28.497
Base-Backbone interact. energy: -0.500
local terms energy: -61.689422
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -90.012161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.012161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.012161 (E_RNA)
where:
Base-Base interactions energy: -37.888
where: short stacking energy: -27.324
Base-Backbone interact. energy: -0.108
local terms energy: -52.016504
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -80.031432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.031432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.031432 (E_RNA)
where:
Base-Base interactions energy: -29.090
where: short stacking energy: -23.122
Base-Backbone interact. energy: -0.022
local terms energy: -50.918992
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: 2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -76.650478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.650478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.650478 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -30.097
Base-Backbone interact. energy: -0.204
local terms energy: -46.349464
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -7.014
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -6.562
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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -210.570989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.570989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.570989 (E_RNA)
where:
Base-Base interactions energy: -136.302
where: short stacking energy: -70.829
Base-Backbone interact. energy: -0.101
local terms energy: -74.167645
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -202.920779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.920779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.920779 (E_RNA)
where:
Base-Base interactions energy: -132.304
where: short stacking energy: -69.085
Base-Backbone interact. energy: 1.601
local terms energy: -72.217093
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -176.302852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.302852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.302852 (E_RNA)
where:
Base-Base interactions energy: -112.000
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.009
local terms energy: -64.293355
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -9.452
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: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -163.111028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.111028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.111028 (E_RNA)
where:
Base-Base interactions energy: -92.035
where: short stacking energy: -54.515
Base-Backbone interact. energy: -0.032
local terms energy: -71.043784
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -6.860
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: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -157.977281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.977281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.977281 (E_RNA)
where:
Base-Base interactions energy: -92.823
where: short stacking energy: -50.883
Base-Backbone interact. energy: -0.428
local terms energy: -64.726475
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -111.626562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.626562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.626562 (E_RNA)
where:
Base-Base interactions energy: -61.335
where: short stacking energy: -18.045
Base-Backbone interact. energy: -0.672
local terms energy: -49.619487
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -0.469
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -90.247118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.247118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.247118 (E_RNA)
where:
Base-Base interactions energy: -38.213
where: short stacking energy: -24.941
Base-Backbone interact. energy: -0.099
local terms energy: -51.935072
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -87.409234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.409234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.409234 (E_RNA)
where:
Base-Base interactions energy: -31.885
where: short stacking energy: -30.205
Base-Backbone interact. energy: 0.927
local terms energy: -56.451608
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -5.229
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: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -92.553029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.553029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.553029 (E_RNA)
where:
Base-Base interactions energy: -33.064
where: short stacking energy: -31.330
Base-Backbone interact. energy: -0.421
local terms energy: -59.068075
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -79.516124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.516124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.516124 (E_RNA)
where:
Base-Base interactions energy: -34.919
where: short stacking energy: -32.779
Base-Backbone interact. energy: 3.604
local terms energy: -48.200763
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -5.730
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: 208
Temperature: 0.900000
Total energy: -211.715860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.715860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.715860 (E_RNA)
where:
Base-Base interactions energy: -134.866
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.139
local terms energy: -76.710881
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -186.897920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.897920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.897920 (E_RNA)
where:
Base-Base interactions energy: -120.027
where: short stacking energy: -54.742
Base-Backbone interact. energy: -0.116
local terms energy: -66.754681
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -15.776
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: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -166.976189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.976189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.976189 (E_RNA)
where:
Base-Base interactions energy: -100.439
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.010
local terms energy: -66.526992
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -168.085832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.085832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.085832 (E_RNA)
where:
Base-Base interactions energy: -98.454
where: short stacking energy: -54.993
Base-Backbone interact. energy: -0.258
local terms energy: -69.374218
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -13.705
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: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -98.474280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.474280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.474280 (E_RNA)
where:
Base-Base interactions energy: -46.409
where: short stacking energy: -40.998
Base-Backbone interact. energy: -0.617
local terms energy: -51.448157
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -1.408
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -157.757290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.757290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.757290 (E_RNA)
where:
Base-Base interactions energy: -89.487
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.026
local terms energy: -68.245124
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -97.612305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.612305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.612305 (E_RNA)
where:
Base-Base interactions energy: -40.207
where: short stacking energy: -37.635
Base-Backbone interact. energy: 0.832
local terms energy: -58.237047
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -93.366780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.366780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.366780 (E_RNA)
where:
Base-Base interactions energy: -45.679
where: short stacking energy: -45.679
Base-Backbone interact. energy: 0.241
local terms energy: -47.928936
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -79.562016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.562016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.562016 (E_RNA)
where:
Base-Base interactions energy: -32.862
where: short stacking energy: -15.410
Base-Backbone interact. energy: -0.187
local terms energy: -46.513070
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: 2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -76.216927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.216927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.216927 (E_RNA)
where:
Base-Base interactions energy: -28.558
where: short stacking energy: -27.339
Base-Backbone interact. energy: -0.281
local terms energy: -47.378134
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -5.378
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: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -215.715000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.715000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.715000 (E_RNA)
where:
Base-Base interactions energy: -139.846
where: short stacking energy: -71.025
Base-Backbone interact. energy: -0.735
local terms energy: -75.134294
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -10.785
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: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -179.840076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.840076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.840076 (E_RNA)
where:
Base-Base interactions energy: -108.718
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.047
local terms energy: -71.074815
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -9.895
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: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -171.972018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.972018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.972018 (E_RNA)
where:
Base-Base interactions energy: -106.803
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.581
local terms energy: -64.588759
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -114.877072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.877072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.877072 (E_RNA)
where:
Base-Base interactions energy: -49.045
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.043
local terms energy: -65.788420
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -11.085
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: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -173.554700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.554700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.554700 (E_RNA)
where:
Base-Base interactions energy: -110.805
where: short stacking energy: -57.623
Base-Backbone interact. energy: -0.325
local terms energy: -62.424903
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -12.181
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: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -150.146730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.146730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.146730 (E_RNA)
where:
Base-Base interactions energy: -84.598
where: short stacking energy: -44.732
Base-Backbone interact. energy: -0.064
local terms energy: -65.485367
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -80.496868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.496868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.496868 (E_RNA)
where:
Base-Base interactions energy: -29.294
where: short stacking energy: -29.294
Base-Backbone interact. energy: -0.015
local terms energy: -51.187195
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -85.815122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.815122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.815122 (E_RNA)
where:
Base-Base interactions energy: -27.282
where: short stacking energy: -27.282
Base-Backbone interact. energy: -0.426
local terms energy: -58.107348
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -94.703199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.703199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.703199 (E_RNA)
where:
Base-Base interactions energy: -45.089
where: short stacking energy: -36.550
Base-Backbone interact. energy: -0.150
local terms energy: -49.464213
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -74.929814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.929814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.929814 (E_RNA)
where:
Base-Base interactions energy: -28.071
where: short stacking energy: -28.071
Base-Backbone interact. energy: -0.440
local terms energy: -46.419282
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -196.028694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.028694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.028694 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.454
local terms energy: -67.898887
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -16.498
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: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -163.082330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.082330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.082330 (E_RNA)
where:
Base-Base interactions energy: -96.855
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.017
local terms energy: -66.210164
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -163.591216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.591216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.591216 (E_RNA)
where:
Base-Base interactions energy: -97.558
where: short stacking energy: -62.277
Base-Backbone interact. energy: 0.685
local terms energy: -66.718291
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -12.760
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -111.163111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.163111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.163111 (E_RNA)
where:
Base-Base interactions energy: -51.679
where: short stacking energy: -51.113
Base-Backbone interact. energy: 0.788
local terms energy: -60.272823
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -170.122986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.122986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.122986 (E_RNA)
where:
Base-Base interactions energy: -111.895
where: short stacking energy: -55.113
Base-Backbone interact. energy: 0.399
local terms energy: -58.626653
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -19.605
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: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -145.960929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.960929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.960929 (E_RNA)
where:
Base-Base interactions energy: -83.167
where: short stacking energy: -42.358
Base-Backbone interact. energy: -0.332
local terms energy: -62.462115
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -13.741
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: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -108.169378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.169378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.169378 (E_RNA)
where:
Base-Base interactions energy: -49.046
where: short stacking energy: -48.688
Base-Backbone interact. energy: -0.002
local terms energy: -59.121397
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -82.360965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.360965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.360965 (E_RNA)
where:
Base-Base interactions energy: -31.430
where: short stacking energy: -30.003
Base-Backbone interact. energy: -0.133
local terms energy: -50.797359
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -8.940
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -112.014371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.014371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.014371 (E_RNA)
where:
Base-Base interactions energy: -56.259
where: short stacking energy: -32.624
Base-Backbone interact. energy: -0.099
local terms energy: -55.656084
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -7.985
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: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -88.188225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.188225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.188225 (E_RNA)
where:
Base-Base interactions energy: -34.296
where: short stacking energy: -34.296
Base-Backbone interact. energy: -0.096
local terms energy: -53.795945
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -207.983138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.983138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.983138 (E_RNA)
where:
Base-Base interactions energy: -136.274
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.113
local terms energy: -71.596117
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -163.878450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.878450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.878450 (E_RNA)
where:
Base-Base interactions energy: -92.339
where: short stacking energy: -49.247
Base-Backbone interact. energy: -0.195
local terms energy: -71.344429
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -8.750
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: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -158.084725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.084725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.084725 (E_RNA)
where:
Base-Base interactions energy: -91.843
where: short stacking energy: -49.560
Base-Backbone interact. energy: -0.186
local terms energy: -66.055638
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -171.557357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.557357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.557357 (E_RNA)
where:
Base-Base interactions energy: -108.371
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.616
local terms energy: -62.570669
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -110.364941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.364941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.364941 (E_RNA)
where:
Base-Base interactions energy: -56.561
where: short stacking energy: -38.560
Base-Backbone interact. energy: 0.376
local terms energy: -54.179875
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -136.185359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.185359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.185359 (E_RNA)
where:
Base-Base interactions energy: -78.166
where: short stacking energy: -42.938
Base-Backbone interact. energy: -0.289
local terms energy: -57.730617
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -6.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -97.779835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.779835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.779835 (E_RNA)
where:
Base-Base interactions energy: -42.451
where: short stacking energy: -33.840
Base-Backbone interact. energy: 1.026
local terms energy: -56.354445
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -94.568809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.568809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.568809 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -38.412
Base-Backbone interact. energy: 1.334
local terms energy: -57.591139
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -8.367
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: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -79.198258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.198258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.198258 (E_RNA)
where:
Base-Base interactions energy: -28.128
where: short stacking energy: -22.736
Base-Backbone interact. energy: -0.127
local terms energy: -50.942707
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -73.097224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.097224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.097224 (E_RNA)
where:
Base-Base interactions energy: -27.606
where: short stacking energy: -27.606
Base-Backbone interact. energy: 0.161
local terms energy: -45.651637
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -208.410119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.410119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.410119 (E_RNA)
where:
Base-Base interactions energy: -133.106
where: short stacking energy: -59.987
Base-Backbone interact. energy: 0.802
local terms energy: -76.106081
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -169.523434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.523434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.523434 (E_RNA)
where:
Base-Base interactions energy: -103.870
where: short stacking energy: -56.862
Base-Backbone interact. energy: -0.253
local terms energy: -65.400447
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -182.518792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.518792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.518792 (E_RNA)
where:
Base-Base interactions energy: -104.233
where: short stacking energy: -67.197
Base-Backbone interact. energy: -0.965
local terms energy: -77.320967
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -17.727
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: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -176.595947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.595947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.595947 (E_RNA)
where:
Base-Base interactions energy: -104.156
where: short stacking energy: -57.998
Base-Backbone interact. energy: -0.837
local terms energy: -71.602783
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -150.423347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.423347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.423347 (E_RNA)
where:
Base-Base interactions energy: -80.035
where: short stacking energy: -47.223
Base-Backbone interact. energy: -0.799
local terms energy: -69.589096
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -89.704776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.704776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.704776 (E_RNA)
where:
Base-Base interactions energy: -35.792
where: short stacking energy: -35.792
Base-Backbone interact. energy: -0.880
local terms energy: -53.032917
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -104.026545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.026545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.026545 (E_RNA)
where:
Base-Base interactions energy: -56.132
where: short stacking energy: -31.436
Base-Backbone interact. energy: -1.525
local terms energy: -46.369982
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -92.052422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.052422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.052422 (E_RNA)
where:
Base-Base interactions energy: -36.191
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.157
local terms energy: -55.704898
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -3.526
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: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -82.592670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.592670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.592670 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -26.237
Base-Backbone interact. energy: -0.044
local terms energy: -48.004325
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -2.208
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: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -72.399304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.399304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.399304 (E_RNA)
where:
Base-Base interactions energy: -17.563
where: short stacking energy: -17.563
Base-Backbone interact. energy: -0.157
local terms energy: -54.679441
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -201.338275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.338275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.338275 (E_RNA)
where:
Base-Base interactions energy: -129.058
where: short stacking energy: -59.872
Base-Backbone interact. energy: -0.365
local terms energy: -71.916076
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -180.270646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.270646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.270646 (E_RNA)
where:
Base-Base interactions energy: -106.208
where: short stacking energy: -58.917
Base-Backbone interact. energy: -1.088
local terms energy: -72.974840
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -13.876
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: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -179.644948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.644948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.644948 (E_RNA)
where:
Base-Base interactions energy: -100.506
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.665
local terms energy: -78.474131
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -146.399936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.399936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.399936 (E_RNA)
where:
Base-Base interactions energy: -82.987
where: short stacking energy: -49.901
Base-Backbone interact. energy: -0.410
local terms energy: -63.002161
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -157.701059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.701059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.701059 (E_RNA)
where:
Base-Base interactions energy: -92.431
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.034
local terms energy: -65.235440
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -9.280
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: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -97.497277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.497277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.497277 (E_RNA)
where:
Base-Base interactions energy: -48.698
where: short stacking energy: -31.476
Base-Backbone interact. energy: -0.155
local terms energy: -48.644258
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -113.095417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.095417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.095417 (E_RNA)
where:
Base-Base interactions energy: -52.011
where: short stacking energy: -25.677
Base-Backbone interact. energy: -0.939
local terms energy: -60.145497
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -88.153698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.153698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.153698 (E_RNA)
where:
Base-Base interactions energy: -31.988
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.214
local terms energy: -55.951057
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -3.717
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: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -84.560438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.560438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.560438 (E_RNA)
where:
Base-Base interactions energy: -37.079
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.184
local terms energy: -47.297113
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -79.973662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.973662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.973662 (E_RNA)
where:
Base-Base interactions energy: -34.713
where: short stacking energy: -21.575
Base-Backbone interact. energy: -0.160
local terms energy: -45.100926
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -207.278493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.278493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.278493 (E_RNA)
where:
Base-Base interactions energy: -138.008
where: short stacking energy: -63.288
Base-Backbone interact. energy: -2.083
local terms energy: -67.186731
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -15.209
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: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -187.225427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.225427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.225427 (E_RNA)
where:
Base-Base interactions energy: -115.227
where: short stacking energy: -57.282
Base-Backbone interact. energy: -0.082
local terms energy: -71.916804
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -167.175516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.175516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.175516 (E_RNA)
where:
Base-Base interactions energy: -95.797
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.001
local terms energy: -71.377037
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -182.344621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.344621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.344621 (E_RNA)
where:
Base-Base interactions energy: -112.927
where: short stacking energy: -52.857
Base-Backbone interact. energy: -0.001
local terms energy: -69.416294
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -15.068
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: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -146.227785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.227785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.227785 (E_RNA)
where:
Base-Base interactions energy: -80.464
where: short stacking energy: -42.156
Base-Backbone interact. energy: -0.649
local terms energy: -65.114392
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -10.183
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: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -94.723430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.723430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.723430 (E_RNA)
where:
Base-Base interactions energy: -39.956
where: short stacking energy: -39.956
Base-Backbone interact. energy: -0.042
local terms energy: -54.725519
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -98.329604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.329604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.329604 (E_RNA)
where:
Base-Base interactions energy: -50.034
where: short stacking energy: -35.315
Base-Backbone interact. energy: -0.220
local terms energy: -48.076475
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: 2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -104.168975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.168975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.168975 (E_RNA)
where:
Base-Base interactions energy: -44.087
where: short stacking energy: -44.087
Base-Backbone interact. energy: -0.011
local terms energy: -60.070474
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -8.955
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: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -88.539852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.539852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.539852 (E_RNA)
where:
Base-Base interactions energy: -33.865
where: short stacking energy: -34.452
Base-Backbone interact. energy: -0.133
local terms energy: -54.542558
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -76.632081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.632081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.632081 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -21.463
Base-Backbone interact. energy: -0.406
local terms energy: -34.821411
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: 5.507
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: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -209.123947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.123947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.123947 (E_RNA)
where:
Base-Base interactions energy: -135.032
where: short stacking energy: -57.894
Base-Backbone interact. energy: -0.003
local terms energy: -74.088547
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -195.446171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.446171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.446171 (E_RNA)
where:
Base-Base interactions energy: -127.403
where: short stacking energy: -69.650
Base-Backbone interact. energy: -0.057
local terms energy: -67.987096
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -176.030924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.030924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.030924 (E_RNA)
where:
Base-Base interactions energy: -105.952
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.005
local terms energy: -70.074107
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -181.474960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.474960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.474960 (E_RNA)
where:
Base-Base interactions energy: -114.085
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.453
local terms energy: -66.936835
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -17.929
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: 215
Temperature: 1.100000
Total energy: -148.930172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.930172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.930172 (E_RNA)
where:
Base-Base interactions energy: -86.273
where: short stacking energy: -43.153
Base-Backbone interact. energy: -1.035
local terms energy: -61.622333
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -8.856
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: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -97.260096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.260096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.260096 (E_RNA)
where:
Base-Base interactions energy: -40.934
where: short stacking energy: -40.934
Base-Backbone interact. energy: -0.144
local terms energy: -56.181299
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -2.206
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -105.505050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.505050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.505050 (E_RNA)
where:
Base-Base interactions energy: -46.233
where: short stacking energy: -46.233
Base-Backbone interact. energy: -0.006
local terms energy: -59.267020
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -8.867
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -103.607960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.607960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.607960 (E_RNA)
where:
Base-Base interactions energy: -50.639
where: short stacking energy: -48.911
Base-Backbone interact. energy: 1.175
local terms energy: -54.143402
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -87.598171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.598171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.598171 (E_RNA)
where:
Base-Base interactions energy: -38.547
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.128
local terms energy: -48.922761
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -87.181597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.181597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.181597 (E_RNA)
where:
Base-Base interactions energy: -38.407
where: short stacking energy: -25.065
Base-Backbone interact. energy: -0.105
local terms energy: -48.669602
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -7.874
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -0.563
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: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -185.591171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.591171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.591171 (E_RNA)
where:
Base-Base interactions energy: -114.719
where: short stacking energy: -60.614
Base-Backbone interact. energy: -0.110
local terms energy: -70.762357
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -16.866
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: 216
Temperature: 0.950000
Total energy: -191.549828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.549828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.549828 (E_RNA)
where:
Base-Base interactions energy: -121.894
where: short stacking energy: -62.559
Base-Backbone interact. energy: -0.012
local terms energy: -69.643888
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -180.813880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.813880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.813880 (E_RNA)
where:
Base-Base interactions energy: -111.643
where: short stacking energy: -59.167
Base-Backbone interact. energy: 2.011
local terms energy: -71.181738
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -17.488
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: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -183.233798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.233798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.233798 (E_RNA)
where:
Base-Base interactions energy: -113.489
where: short stacking energy: -64.934
Base-Backbone interact. energy: -0.013
local terms energy: -69.731669
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -7.883
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: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -110.881980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.881980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.881980 (E_RNA)
where:
Base-Base interactions energy: -54.014
where: short stacking energy: -32.131
Base-Backbone interact. energy: -0.102
local terms energy: -56.765275
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -129.533942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.533942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.533942 (E_RNA)
where:
Base-Base interactions energy: -68.281
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.218
local terms energy: -61.035750
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -90.600423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.600423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.600423 (E_RNA)
where:
Base-Base interactions energy: -33.996
where: short stacking energy: -33.586
Base-Backbone interact. energy: 0.282
local terms energy: -56.885889
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -84.207331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207331 (E_RNA)
where:
Base-Base interactions energy: -29.505
where: short stacking energy: -26.480
Base-Backbone interact. energy: -0.113
local terms energy: -54.589333
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -109.792259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.792259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.792259 (E_RNA)
where:
Base-Base interactions energy: -49.012
where: short stacking energy: -35.981
Base-Backbone interact. energy: -0.616
local terms energy: -60.164106
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -7.399
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: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -87.366754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.366754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.366754 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -31.860
Base-Backbone interact. energy: 0.961
local terms energy: -52.218609
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -2.334
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: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -199.320740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.320740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.320740 (E_RNA)
where:
Base-Base interactions energy: -134.049
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.263
local terms energy: -65.008599
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -209.200547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.200547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.200547 (E_RNA)
where:
Base-Base interactions energy: -133.563
where: short stacking energy: -69.834
Base-Backbone interact. energy: -0.003
local terms energy: -75.635058
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -10.069
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: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -173.031169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.031169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.031169 (E_RNA)
where:
Base-Base interactions energy: -106.211
where: short stacking energy: -58.347
Base-Backbone interact. energy: -0.412
local terms energy: -66.407796
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -195.416372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.416372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.416372 (E_RNA)
where:
Base-Base interactions energy: -127.261
where: short stacking energy: -71.414
Base-Backbone interact. energy: -0.377
local terms energy: -67.778530
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -4.795
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: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -137.707406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.707406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.707406 (E_RNA)
where:
Base-Base interactions energy: -82.131
where: short stacking energy: -40.789
Base-Backbone interact. energy: -0.985
local terms energy: -54.591646
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -115.304694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.304694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.304694 (E_RNA)
where:
Base-Base interactions energy: -50.644
where: short stacking energy: -36.715
Base-Backbone interact. energy: -0.015
local terms energy: -64.645851
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -85.548516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.548516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.548516 (E_RNA)
where:
Base-Base interactions energy: -43.035
where: short stacking energy: -26.077
Base-Backbone interact. energy: -0.263
local terms energy: -42.249678
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: 1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -90.031990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.031990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.031990 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -27.954
Base-Backbone interact. energy: -0.245
local terms energy: -58.545601
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -80.101089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.101089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.101089 (E_RNA)
where:
Base-Base interactions energy: -29.546
where: short stacking energy: -29.546
Base-Backbone interact. energy: -0.102
local terms energy: -50.453426
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -1.177
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -75.999041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.999041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.999041 (E_RNA)
where:
Base-Base interactions energy: -38.451
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.159
local terms energy: -37.389176
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: 5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -215.059299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.059299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.059299 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -75.662
Base-Backbone interact. energy: -0.412
local terms energy: -78.629435
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -220.283216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.283216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.283216 (E_RNA)
where:
Base-Base interactions energy: -140.582
where: short stacking energy: -79.518
Base-Backbone interact. energy: -0.000
local terms energy: -79.701218
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -20.049
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: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -183.134997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.134997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.134997 (E_RNA)
where:
Base-Base interactions energy: -111.111
where: short stacking energy: -60.783
Base-Backbone interact. energy: 0.140
local terms energy: -72.164000
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -151.904468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.904468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.904468 (E_RNA)
where:
Base-Base interactions energy: -97.979
where: short stacking energy: -55.913
Base-Backbone interact. energy: -0.132
local terms energy: -53.792969
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -8.174
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: 218
Temperature: 1.100000
Total energy: -126.138635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.138635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.138635 (E_RNA)
where:
Base-Base interactions energy: -70.440
where: short stacking energy: -39.441
Base-Backbone interact. energy: -0.005
local terms energy: -55.694168
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -9.138
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: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -132.837463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.837463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.837463 (E_RNA)
where:
Base-Base interactions energy: -70.788
where: short stacking energy: -33.926
Base-Backbone interact. energy: 0.170
local terms energy: -62.219646
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -12.453
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: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -92.161418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.161418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.161418 (E_RNA)
where:
Base-Base interactions energy: -45.203
where: short stacking energy: -32.206
Base-Backbone interact. energy: -0.814
local terms energy: -46.144760
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -105.777277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.777277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.777277 (E_RNA)
where:
Base-Base interactions energy: -48.110
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.363
local terms energy: -57.304822
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -12.020
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: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -86.910213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.910213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.910213 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -31.091
Base-Backbone interact. energy: -0.153
local terms energy: -49.923972
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -84.187968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.187968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.187968 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -21.976
Base-Backbone interact. energy: -0.083
local terms energy: -54.211643
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -210.129153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.129153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.129153 (E_RNA)
where:
Base-Base interactions energy: -132.151
where: short stacking energy: -73.919
Base-Backbone interact. energy: -0.557
local terms energy: -77.421953
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -214.461139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.461139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.461139 (E_RNA)
where:
Base-Base interactions energy: -137.825
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.000
local terms energy: -76.636209
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -18.961
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: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -182.604949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.604949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.604949 (E_RNA)
where:
Base-Base interactions energy: -107.902
where: short stacking energy: -54.232
Base-Backbone interact. energy: -0.029
local terms energy: -74.674117
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -13.208
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: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -164.867423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.867423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.867423 (E_RNA)
where:
Base-Base interactions energy: -93.699
where: short stacking energy: -51.802
Base-Backbone interact. energy: -0.926
local terms energy: -70.242531
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -8.096
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: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -164.677607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.677607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.677607 (E_RNA)
where:
Base-Base interactions energy: -98.583
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.125
local terms energy: -65.970200
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.757
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: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -100.225178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.225178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.225178 (E_RNA)
where:
Base-Base interactions energy: -55.653
where: short stacking energy: -40.739
Base-Backbone interact. energy: 1.456
local terms energy: -46.028720
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -90.836947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.836947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.836947 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -30.397
Base-Backbone interact. energy: -0.743
local terms energy: -51.970429
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -2.136
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: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -156.690147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.690147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.690147 (E_RNA)
where:
Base-Base interactions energy: -98.645
where: short stacking energy: -59.271
Base-Backbone interact. energy: -0.009
local terms energy: -58.036614
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -6.376
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: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -120.869404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.869404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.869404 (E_RNA)
where:
Base-Base interactions energy: -61.522
where: short stacking energy: -32.047
Base-Backbone interact. energy: -0.458
local terms energy: -58.889808
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -9.850
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: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -88.592741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.592741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.592741 (E_RNA)
where:
Base-Base interactions energy: -28.773
where: short stacking energy: -26.003
Base-Backbone interact. energy: 0.405
local terms energy: -60.224802
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -5.466
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: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -210.428866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.428866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.428866 (E_RNA)
where:
Base-Base interactions energy: -136.112
where: short stacking energy: -65.854
Base-Backbone interact. energy: -1.650
local terms energy: -72.667137
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -193.443718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.443718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.443718 (E_RNA)
where:
Base-Base interactions energy: -125.908
where: short stacking energy: -63.736
Base-Backbone interact. energy: -0.998
local terms energy: -66.538486
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -17.383
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: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -173.593274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.593274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.593274 (E_RNA)
where:
Base-Base interactions energy: -106.435
where: short stacking energy: -51.603
Base-Backbone interact. energy: -0.119
local terms energy: -67.039006
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -160.157198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.157198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.157198 (E_RNA)
where:
Base-Base interactions energy: -95.968
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.649
local terms energy: -63.540182
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -14.866
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: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -103.859392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.859392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.859392 (E_RNA)
where:
Base-Base interactions energy: -53.089
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.066
local terms energy: -50.704391
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -158.935669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.935669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.935669 (E_RNA)
where:
Base-Base interactions energy: -92.998
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.165
local terms energy: -65.772599
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -150.272481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.272481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.272481 (E_RNA)
where:
Base-Base interactions energy: -92.514
where: short stacking energy: -44.042
Base-Backbone interact. energy: -0.091
local terms energy: -57.667110
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -11.447
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: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -89.880604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.880604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.880604 (E_RNA)
where:
Base-Base interactions energy: -28.834
where: short stacking energy: -28.834
Base-Backbone interact. energy: -0.616
local terms energy: -60.430836
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -80.837807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.837807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.837807 (E_RNA)
where:
Base-Base interactions energy: -32.287
where: short stacking energy: -32.287
Base-Backbone interact. energy: -0.126
local terms energy: -48.425448
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -75.867543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.867543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.867543 (E_RNA)
where:
Base-Base interactions energy: -27.419
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.111
local terms energy: -48.337626
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -2.751
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -216.998827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.998827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.998827 (E_RNA)
where:
Base-Base interactions energy: -134.220
where: short stacking energy: -70.115
Base-Backbone interact. energy: 0.185
local terms energy: -82.963891
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -23.815
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: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -180.729596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.729596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.729596 (E_RNA)
where:
Base-Base interactions energy: -106.272
where: short stacking energy: -50.987
Base-Backbone interact. energy: -1.848
local terms energy: -72.609750
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -16.158
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: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -188.384019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.384019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.384019 (E_RNA)
where:
Base-Base interactions energy: -118.438
where: short stacking energy: -68.717
Base-Backbone interact. energy: -0.000
local terms energy: -69.946057
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -21.240
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: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -116.374477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.374477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.374477 (E_RNA)
where:
Base-Base interactions energy: -54.261
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.039
local terms energy: -62.073777
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -170.376043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.376043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.376043 (E_RNA)
where:
Base-Base interactions energy: -105.014
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.241
local terms energy: -65.121413
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -139.221810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.221810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.221810 (E_RNA)
where:
Base-Base interactions energy: -82.530
where: short stacking energy: -44.794
Base-Backbone interact. energy: 0.619
local terms energy: -57.310832
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -132.881792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.881792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.881792 (E_RNA)
where:
Base-Base interactions energy: -76.177
where: short stacking energy: -39.532
Base-Backbone interact. energy: -0.301
local terms energy: -56.404034
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -10.339
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: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -96.917147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.917147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.917147 (E_RNA)
where:
Base-Base interactions energy: -39.024
where: short stacking energy: -39.024
Base-Backbone interact. energy: -0.105
local terms energy: -57.787227
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -8.548
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: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -95.994772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.994772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.994772 (E_RNA)
where:
Base-Base interactions energy: -49.838
where: short stacking energy: -36.803
Base-Backbone interact. energy: -0.100
local terms energy: -46.057030
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -1.785
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -85.061445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.061445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.061445 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -24.836
Base-Backbone interact. energy: -0.675
local terms energy: -56.489003
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -9.053
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: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -212.261326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.261326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.261326 (E_RNA)
where:
Base-Base interactions energy: -135.506
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.297
local terms energy: -76.457881
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -176.706316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.706316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.706316 (E_RNA)
where:
Base-Base interactions energy: -105.371
where: short stacking energy: -54.517
Base-Backbone interact. energy: -2.368
local terms energy: -68.967593
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -10.637
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: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -194.802082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.802082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.802082 (E_RNA)
where:
Base-Base interactions energy: -121.113
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.088
local terms energy: -73.601085
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -123.445198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.445198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.445198 (E_RNA)
where:
Base-Base interactions energy: -61.253
where: short stacking energy: -47.224
Base-Backbone interact. energy: -0.422
local terms energy: -61.770390
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -126.589805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.589805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.589805 (E_RNA)
where:
Base-Base interactions energy: -65.138
where: short stacking energy: -39.144
Base-Backbone interact. energy: -0.433
local terms energy: -61.018929
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -152.858213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.858213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.858213 (E_RNA)
where:
Base-Base interactions energy: -96.338
where: short stacking energy: -45.352
Base-Backbone interact. energy: -0.170
local terms energy: -56.350647
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -97.936918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.936918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.936918 (E_RNA)
where:
Base-Base interactions energy: -44.096
where: short stacking energy: -41.516
Base-Backbone interact. energy: 1.615
local terms energy: -55.455120
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -115.208014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.208014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.208014 (E_RNA)
where:
Base-Base interactions energy: -68.950
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.058
local terms energy: -46.199741
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -80.219469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.219469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.219469 (E_RNA)
where:
Base-Base interactions energy: -28.541
where: short stacking energy: -28.541
Base-Backbone interact. energy: 0.264
local terms energy: -51.942727
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -3.675
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: 222
Temperature: 1.350000
Total energy: -80.103348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.103348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.103348 (E_RNA)
where:
Base-Base interactions energy: -35.740
where: short stacking energy: -23.845
Base-Backbone interact. energy: 0.255
local terms energy: -44.617828
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -210.753213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.753213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.753213 (E_RNA)
where:
Base-Base interactions energy: -135.702
where: short stacking energy: -56.067
Base-Backbone interact. energy: -0.022
local terms energy: -75.029960
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -17.955
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: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -203.221350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.221350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.221350 (E_RNA)
where:
Base-Base interactions energy: -124.752
where: short stacking energy: -66.136
Base-Backbone interact. energy: -1.129
local terms energy: -77.340081
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -173.800162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.800162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.800162 (E_RNA)
where:
Base-Base interactions energy: -100.911
where: short stacking energy: -54.437
Base-Backbone interact. energy: -1.606
local terms energy: -71.283649
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -154.711623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.711623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.711623 (E_RNA)
where:
Base-Base interactions energy: -88.237
where: short stacking energy: -46.293
Base-Backbone interact. energy: -0.192
local terms energy: -66.282457
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -15.254
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: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -107.653819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.653819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.653819 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -43.724
Base-Backbone interact. energy: -0.101
local terms energy: -63.828344
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -155.459376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.459376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.459376 (E_RNA)
where:
Base-Base interactions energy: -98.304
where: short stacking energy: -52.135
Base-Backbone interact. energy: 0.036
local terms energy: -57.190841
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -92.212276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.212276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.212276 (E_RNA)
where:
Base-Base interactions energy: -44.394
where: short stacking energy: -38.618
Base-Backbone interact. energy: -0.001
local terms energy: -47.817376
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -8.172
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -3.273
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: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -93.770069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.770069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.770069 (E_RNA)
where:
Base-Base interactions energy: -33.456
where: short stacking energy: -30.795
Base-Backbone interact. energy: -0.479
local terms energy: -59.835747
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -78.407048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.407048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.407048 (E_RNA)
where:
Base-Base interactions energy: -27.332
where: short stacking energy: -25.112
Base-Backbone interact. energy: -2.106
local terms energy: -48.969085
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -2.380
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: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -78.073369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.073369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.073369 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.442
local terms energy: -45.214645
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: 0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -201.734656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.734656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.734656 (E_RNA)
where:
Base-Base interactions energy: -130.135
where: short stacking energy: -72.289
Base-Backbone interact. energy: -0.015
local terms energy: -71.585228
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -205.856859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.856859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.856859 (E_RNA)
where:
Base-Base interactions energy: -131.794
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.011
local terms energy: -74.051782
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -174.330147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.330147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.330147 (E_RNA)
where:
Base-Base interactions energy: -113.622
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.377
local terms energy: -60.331208
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -188.950198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.950198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.950198 (E_RNA)
where:
Base-Base interactions energy: -121.672
where: short stacking energy: -50.267
Base-Backbone interact. energy: -0.413
local terms energy: -66.865927
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -162.010565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.010565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.010565 (E_RNA)
where:
Base-Base interactions energy: -99.579
where: short stacking energy: -59.654
Base-Backbone interact. energy: -1.662
local terms energy: -60.769382
where:
bonds (distance) C4'-P energy: -6.685
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -13.375
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: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -106.719198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.719198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.719198 (E_RNA)
where:
Base-Base interactions energy: -49.326
where: short stacking energy: -26.817
Base-Backbone interact. energy: 0.267
local terms energy: -57.660329
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -1.388
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: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -94.932767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.932767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.932767 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.135
local terms energy: -61.734127
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -97.366502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.366502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.366502 (E_RNA)
where:
Base-Base interactions energy: -42.817
where: short stacking energy: -37.260
Base-Backbone interact. energy: -0.146
local terms energy: -54.403947
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -84.276925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.276925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.276925 (E_RNA)
where:
Base-Base interactions energy: -29.689
where: short stacking energy: -28.218
Base-Backbone interact. energy: -0.052
local terms energy: -54.536015
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -81.514515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.514515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.514515 (E_RNA)
where:
Base-Base interactions energy: -32.085
where: short stacking energy: -29.764
Base-Backbone interact. energy: -0.111
local terms energy: -49.318478
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -8.017
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -4.177
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: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -205.760080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.760080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.760080 (E_RNA)
where:
Base-Base interactions energy: -128.608
where: short stacking energy: -72.745
Base-Backbone interact. energy: -0.002
local terms energy: -77.149387
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -189.611607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.611607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.611607 (E_RNA)
where:
Base-Base interactions energy: -118.358
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.728
local terms energy: -70.525802
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -22.086
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: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -207.119751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.119751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.119751 (E_RNA)
where:
Base-Base interactions energy: -134.331
where: short stacking energy: -68.064
Base-Backbone interact. energy: -0.017
local terms energy: -72.771704
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -164.109082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.109082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.109082 (E_RNA)
where:
Base-Base interactions energy: -96.050
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.281
local terms energy: -67.777579
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -13.440
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: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -169.610551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.610551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.610551 (E_RNA)
where:
Base-Base interactions energy: -101.892
where: short stacking energy: -46.950
Base-Backbone interact. energy: -0.317
local terms energy: -67.401519
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -90.427650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.427650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.427650 (E_RNA)
where:
Base-Base interactions energy: -38.863
where: short stacking energy: -28.534
Base-Backbone interact. energy: 1.047
local terms energy: -52.611487
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -103.275734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.275734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.275734 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.085
local terms energy: -64.041728
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -77.862961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.862961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.862961 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.843
local terms energy: -44.965237
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -83.903629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.903629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.903629 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -24.723
Base-Backbone interact. energy: 0.287
local terms energy: -49.691359
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -5.850
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -78.595809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.595809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.595809 (E_RNA)
where:
Base-Base interactions energy: -25.915
where: short stacking energy: -24.460
Base-Backbone interact. energy: 0.199
local terms energy: -52.879069
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -200.893971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.893971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.893971 (E_RNA)
where:
Base-Base interactions energy: -125.676
where: short stacking energy: -64.853
Base-Backbone interact. energy: 0.497
local terms energy: -75.715355
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.037
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: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -190.975942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.975942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.975942 (E_RNA)
where:
Base-Base interactions energy: -117.572
where: short stacking energy: -58.644
Base-Backbone interact. energy: -1.302
local terms energy: -72.102539
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -15.764
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: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -200.510686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.510686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.510686 (E_RNA)
where:
Base-Base interactions energy: -128.052
where: short stacking energy: -60.477
Base-Backbone interact. energy: -0.030
local terms energy: -72.429172
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -17.054
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: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -162.128285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.128285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.128285 (E_RNA)
where:
Base-Base interactions energy: -98.911
where: short stacking energy: -49.619
Base-Backbone interact. energy: -0.073
local terms energy: -63.144859
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -145.241089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.241089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.241089 (E_RNA)
where:
Base-Base interactions energy: -82.315
where: short stacking energy: -47.007
Base-Backbone interact. energy: -0.020
local terms energy: -62.906533
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -9.916
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: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -110.825830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.825830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.825830 (E_RNA)
where:
Base-Base interactions energy: -56.043
where: short stacking energy: -35.369
Base-Backbone interact. energy: -0.113
local terms energy: -54.670169
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -4.802
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: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -83.363121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363121 (E_RNA)
where:
Base-Base interactions energy: -26.281
where: short stacking energy: -21.017
Base-Backbone interact. energy: -0.256
local terms energy: -56.826228
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -1.333
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: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -107.613684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.613684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.613684 (E_RNA)
where:
Base-Base interactions energy: -54.527
where: short stacking energy: -36.622
Base-Backbone interact. energy: 0.853
local terms energy: -53.939191
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -82.571403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.571403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.571403 (E_RNA)
where:
Base-Base interactions energy: -39.343
where: short stacking energy: -33.249
Base-Backbone interact. energy: -0.217
local terms energy: -43.011504
where:
bonds (distance) C4'-P energy: -4.183
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -82.674343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.674343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.674343 (E_RNA)
where:
Base-Base interactions energy: -37.125
where: short stacking energy: -35.887
Base-Backbone interact. energy: 1.584
local terms energy: -47.132749
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -4.042
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: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -203.479711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.479711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.479711 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -63.624
Base-Backbone interact. energy: -0.593
local terms energy: -78.252026
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -197.543561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.543561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.543561 (E_RNA)
where:
Base-Base interactions energy: -127.940
where: short stacking energy: -51.071
Base-Backbone interact. energy: -0.196
local terms energy: -69.407407
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -11.827
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: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -178.894050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.894050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.894050 (E_RNA)
where:
Base-Base interactions energy: -108.381
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.442
local terms energy: -70.071024
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -154.801204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.801204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.801204 (E_RNA)
where:
Base-Base interactions energy: -95.568
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.212
local terms energy: -59.020747
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -148.543869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.543869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.543869 (E_RNA)
where:
Base-Base interactions energy: -86.475
where: short stacking energy: -41.994
Base-Backbone interact. energy: 1.604
local terms energy: -63.672197
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -8.982
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: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -102.625681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.625681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.625681 (E_RNA)
where:
Base-Base interactions energy: -44.737
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.415
local terms energy: -57.473537
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -83.781435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.781435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.781435 (E_RNA)
where:
Base-Base interactions energy: -22.441
where: short stacking energy: -22.441
Base-Backbone interact. energy: -0.815
local terms energy: -60.525545
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -12.284
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: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -86.779368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.779368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.779368 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -28.524
Base-Backbone interact. energy: -0.016
local terms energy: -57.829636
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -86.047924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.047924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.047924 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -22.409
Base-Backbone interact. energy: 0.442
local terms energy: -57.125491
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -75.302587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.302587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.302587 (E_RNA)
where:
Base-Base interactions energy: -30.426
where: short stacking energy: -21.894
Base-Backbone interact. energy: -0.063
local terms energy: -44.813039
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: 1.966
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: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -211.748612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.748612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.748612 (E_RNA)
where:
Base-Base interactions energy: -135.225
where: short stacking energy: -74.669
Base-Backbone interact. energy: -0.000
local terms energy: -76.523693
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -21.229
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: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -202.489925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.489925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.489925 (E_RNA)
where:
Base-Base interactions energy: -130.033
where: short stacking energy: -72.377
Base-Backbone interact. energy: 0.114
local terms energy: -72.570712
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -183.764063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.764063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.764063 (E_RNA)
where:
Base-Base interactions energy: -113.446
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.342
local terms energy: -69.975377
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -149.815716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.815716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.815716 (E_RNA)
where:
Base-Base interactions energy: -82.618
where: short stacking energy: -49.294
Base-Backbone interact. energy: -1.148
local terms energy: -66.049222
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -9.755
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: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -165.648032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.648032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.648032 (E_RNA)
where:
Base-Base interactions energy: -100.671
where: short stacking energy: -45.852
Base-Backbone interact. energy: -0.188
local terms energy: -64.789008
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -94.517491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.517491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.517491 (E_RNA)
where:
Base-Base interactions energy: -38.814
where: short stacking energy: -35.993
Base-Backbone interact. energy: -0.078
local terms energy: -55.625349
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -92.259234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.259234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.259234 (E_RNA)
where:
Base-Base interactions energy: -44.414
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.007
local terms energy: -47.838314
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -95.931072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.931072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.931072 (E_RNA)
where:
Base-Base interactions energy: -39.130
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.289
local terms energy: -56.511424
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -77.319461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.319461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.319461 (E_RNA)
where:
Base-Base interactions energy: -23.657
where: short stacking energy: -16.368
Base-Backbone interact. energy: -0.113
local terms energy: -53.549224
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -83.072226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.072226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.072226 (E_RNA)
where:
Base-Base interactions energy: -29.535
where: short stacking energy: -29.535
Base-Backbone interact. energy: -0.054
local terms energy: -53.483144
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -7.200
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -207.365407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.365407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.365407 (E_RNA)
where:
Base-Base interactions energy: -130.633
where: short stacking energy: -73.202
Base-Backbone interact. energy: -0.156
local terms energy: -76.576206
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -198.794514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.794514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.794514 (E_RNA)
where:
Base-Base interactions energy: -118.800
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.030
local terms energy: -79.963983
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -18.006
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: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -201.430502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.430502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.430502 (E_RNA)
where:
Base-Base interactions energy: -124.724
where: short stacking energy: -69.189
Base-Backbone interact. energy: -0.104
local terms energy: -76.602095
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -177.902677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.902677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.902677 (E_RNA)
where:
Base-Base interactions energy: -111.862
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.169
local terms energy: -65.871085
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -166.762033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.762033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.762033 (E_RNA)
where:
Base-Base interactions energy: -104.676
where: short stacking energy: -46.767
Base-Backbone interact. energy: -0.031
local terms energy: -62.055188
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -11.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -104.131164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.131164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.131164 (E_RNA)
where:
Base-Base interactions energy: -54.041
where: short stacking energy: -36.067
Base-Backbone interact. energy: -0.542
local terms energy: -49.547832
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -100.829925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.829925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.829925 (E_RNA)
where:
Base-Base interactions energy: -45.238
where: short stacking energy: -31.438
Base-Backbone interact. energy: -0.104
local terms energy: -55.487260
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -3.259
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: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -85.673950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.673950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.673950 (E_RNA)
where:
Base-Base interactions energy: -35.155
where: short stacking energy: -34.714
Base-Backbone interact. energy: 1.401
local terms energy: -51.920316
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -5.712
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: 229
Temperature: 1.300000
Total energy: -81.417650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417650 (E_RNA)
where:
Base-Base interactions energy: -27.527
where: short stacking energy: -27.459
Base-Backbone interact. energy: -0.090
local terms energy: -53.800162
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -7.618
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: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -92.078377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.078377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.078377 (E_RNA)
where:
Base-Base interactions energy: -39.580
where: short stacking energy: -37.302
Base-Backbone interact. energy: -0.608
local terms energy: -51.890394
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -209.127726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.127726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.127726 (E_RNA)
where:
Base-Base interactions energy: -132.755
where: short stacking energy: -64.844
Base-Backbone interact. energy: -0.004
local terms energy: -76.368565
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -183.783107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.783107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.783107 (E_RNA)
where:
Base-Base interactions energy: -113.349
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.067
local terms energy: -70.367251
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -168.616337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.616337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.616337 (E_RNA)
where:
Base-Base interactions energy: -97.402
where: short stacking energy: -47.409
Base-Backbone interact. energy: -0.095
local terms energy: -71.119591
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -189.117929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.117929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.117929 (E_RNA)
where:
Base-Base interactions energy: -122.199
where: short stacking energy: -55.520
Base-Backbone interact. energy: -0.188
local terms energy: -66.730902
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -15.791
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: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -145.266984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.266984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.266984 (E_RNA)
where:
Base-Base interactions energy: -85.679
where: short stacking energy: -53.396
Base-Backbone interact. energy: -0.841
local terms energy: -58.746795
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -134.048304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.048304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.048304 (E_RNA)
where:
Base-Base interactions energy: -74.065
where: short stacking energy: -40.507
Base-Backbone interact. energy: -0.143
local terms energy: -59.840222
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -86.404869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.404869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.404869 (E_RNA)
where:
Base-Base interactions energy: -32.281
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.374
local terms energy: -53.749869
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -85.162086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162086 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -26.615
Base-Backbone interact. energy: -0.447
local terms energy: -46.053306
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -92.921831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.921831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.921831 (E_RNA)
where:
Base-Base interactions energy: -39.107
where: short stacking energy: -31.228
Base-Backbone interact. energy: -0.045
local terms energy: -53.770029
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -1.109
tors. eta vs tors. theta energy: -10.788
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: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -78.532583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.532583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.532583 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -28.744
Base-Backbone interact. energy: -0.153
local terms energy: -46.919465
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -210.752667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.752667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.752667 (E_RNA)
where:
Base-Base interactions energy: -142.085
where: short stacking energy: -67.109
Base-Backbone interact. energy: 0.245
local terms energy: -68.912644
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -177.199264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.199264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.199264 (E_RNA)
where:
Base-Base interactions energy: -106.634
where: short stacking energy: -60.998
Base-Backbone interact. energy: -0.034
local terms energy: -70.530683
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -165.345818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.345818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.345818 (E_RNA)
where:
Base-Base interactions energy: -102.055
where: short stacking energy: -49.132
Base-Backbone interact. energy: -0.161
local terms energy: -63.129376
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -156.896275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.896275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.896275 (E_RNA)
where:
Base-Base interactions energy: -99.990
where: short stacking energy: -50.387
Base-Backbone interact. energy: -2.991
local terms energy: -53.915124
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -10.573
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: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -173.690080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.690080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.690080 (E_RNA)
where:
Base-Base interactions energy: -103.279
where: short stacking energy: -59.226
Base-Backbone interact. energy: -0.352
local terms energy: -70.059517
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -18.652
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: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -102.791691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.791691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.791691 (E_RNA)
where:
Base-Base interactions energy: -44.770
where: short stacking energy: -43.526
Base-Backbone interact. energy: -0.084
local terms energy: -57.937908
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -7.792
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: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -126.025599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.025599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.025599 (E_RNA)
where:
Base-Base interactions energy: -80.982
where: short stacking energy: -33.478
Base-Backbone interact. energy: -0.011
local terms energy: -45.032459
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: 0.451
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: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -79.411569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.411569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.411569 (E_RNA)
where:
Base-Base interactions energy: -35.732
where: short stacking energy: -17.089
Base-Backbone interact. energy: -0.633
local terms energy: -43.047130
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -0.897
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -83.620952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.620952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.620952 (E_RNA)
where:
Base-Base interactions energy: -31.602
where: short stacking energy: -28.011
Base-Backbone interact. energy: 0.329
local terms energy: -52.348620
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -7.575
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: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -76.058797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.058797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.058797 (E_RNA)
where:
Base-Base interactions energy: -26.298
where: short stacking energy: -26.298
Base-Backbone interact. energy: -0.888
local terms energy: -48.872099
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -193.443396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.443396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.443396 (E_RNA)
where:
Base-Base interactions energy: -114.839
where: short stacking energy: -69.714
Base-Backbone interact. energy: -0.078
local terms energy: -78.526549
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -208.653196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.653196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.653196 (E_RNA)
where:
Base-Base interactions energy: -137.847
where: short stacking energy: -60.940
Base-Backbone interact. energy: -0.006
local terms energy: -70.799404
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -171.528101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.528101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.528101 (E_RNA)
where:
Base-Base interactions energy: -109.125
where: short stacking energy: -51.989
Base-Backbone interact. energy: 0.295
local terms energy: -62.698199
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -158.764472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.764472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.764472 (E_RNA)
where:
Base-Base interactions energy: -86.664
where: short stacking energy: -50.345
Base-Backbone interact. energy: -0.776
local terms energy: -71.323727
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -177.986539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.986539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.986539 (E_RNA)
where:
Base-Base interactions energy: -105.024
where: short stacking energy: -55.244
Base-Backbone interact. energy: -0.361
local terms energy: -72.601779
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -121.715452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.715452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.715452 (E_RNA)
where:
Base-Base interactions energy: -62.777
where: short stacking energy: -42.998
Base-Backbone interact. energy: -0.184
local terms energy: -58.755015
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -4.818
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: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -96.881309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.881309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.881309 (E_RNA)
where:
Base-Base interactions energy: -34.363
where: short stacking energy: -34.363
Base-Backbone interact. energy: -0.010
local terms energy: -62.508297
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -81.259619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.259619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.259619 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -25.917
Base-Backbone interact. energy: -0.063
local terms energy: -50.684069
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -80.696891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.696891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.696891 (E_RNA)
where:
Base-Base interactions energy: -33.105
where: short stacking energy: -29.922
Base-Backbone interact. energy: 0.471
local terms energy: -48.062825
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -9.211
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: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -75.087656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.087656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.087656 (E_RNA)
where:
Base-Base interactions energy: -34.150
where: short stacking energy: -30.422
Base-Backbone interact. energy: -0.985
local terms energy: -39.952927
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -3.161
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -190.170450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.170450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.170450 (E_RNA)
where:
Base-Base interactions energy: -112.073
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.032
local terms energy: -78.065183
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -198.704886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.704886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.704886 (E_RNA)
where:
Base-Base interactions energy: -132.485
where: short stacking energy: -59.470
Base-Backbone interact. energy: -0.160
local terms energy: -66.060310
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -10.726
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -189.817610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.817610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.817610 (E_RNA)
where:
Base-Base interactions energy: -113.597
where: short stacking energy: -63.246
Base-Backbone interact. energy: -1.157
local terms energy: -75.064240
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -189.871181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.871181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.871181 (E_RNA)
where:
Base-Base interactions energy: -114.381
where: short stacking energy: -59.796
Base-Backbone interact. energy: -0.715
local terms energy: -74.774424
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -161.209207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.209207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.209207 (E_RNA)
where:
Base-Base interactions energy: -93.727
where: short stacking energy: -48.854
Base-Backbone interact. energy: -0.167
local terms energy: -67.314673
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -10.532
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: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -99.482921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.482921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.482921 (E_RNA)
where:
Base-Base interactions energy: -38.176
where: short stacking energy: -31.004
Base-Backbone interact. energy: -1.810
local terms energy: -59.497078
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -93.735395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.735395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.735395 (E_RNA)
where:
Base-Base interactions energy: -38.615
where: short stacking energy: -37.071
Base-Backbone interact. energy: -0.016
local terms energy: -55.103988
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -91.604497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.604497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.604497 (E_RNA)
where:
Base-Base interactions energy: -40.675
where: short stacking energy: -41.109
Base-Backbone interact. energy: -0.212
local terms energy: -50.717982
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -7.911
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -95.214730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.214730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.214730 (E_RNA)
where:
Base-Base interactions energy: -42.141
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.224
local terms energy: -52.849530
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -7.166
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: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -81.312420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.312420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.312420 (E_RNA)
where:
Base-Base interactions energy: -29.931
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.046
local terms energy: -51.335468
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -205.741457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.741457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.741457 (E_RNA)
where:
Base-Base interactions energy: -131.078
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.135
local terms energy: -74.529037
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -172.526117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.526117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.526117 (E_RNA)
where:
Base-Base interactions energy: -104.216
where: short stacking energy: -52.421
Base-Backbone interact. energy: -0.616
local terms energy: -67.694015
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -11.909
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: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -196.226104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.226104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.226104 (E_RNA)
where:
Base-Base interactions energy: -128.832
where: short stacking energy: -71.480
Base-Backbone interact. energy: -2.945
local terms energy: -64.449830
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -164.575572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.575572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.575572 (E_RNA)
where:
Base-Base interactions energy: -106.197
where: short stacking energy: -52.988
Base-Backbone interact. energy: -0.092
local terms energy: -58.286803
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -10.679
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: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -157.419349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.419349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.419349 (E_RNA)
where:
Base-Base interactions energy: -93.482
where: short stacking energy: -41.515
Base-Backbone interact. energy: -0.121
local terms energy: -63.816518
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -142.309244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.309244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.309244 (E_RNA)
where:
Base-Base interactions energy: -81.669
where: short stacking energy: -41.514
Base-Backbone interact. energy: -0.104
local terms energy: -60.536589
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -92.082899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.082899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.082899 (E_RNA)
where:
Base-Base interactions energy: -39.681
where: short stacking energy: -39.681
Base-Backbone interact. energy: -0.240
local terms energy: -52.162246
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -96.667758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.667758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.667758 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -33.764
Base-Backbone interact. energy: -0.116
local terms energy: -58.764400
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -7.646
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: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -82.209209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.209209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.209209 (E_RNA)
where:
Base-Base interactions energy: -31.633
where: short stacking energy: -31.497
Base-Backbone interact. energy: -0.869
local terms energy: -49.707760
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -2.212
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: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -70.267042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.267042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.267042 (E_RNA)
where:
Base-Base interactions energy: -35.695
where: short stacking energy: -20.768
Base-Backbone interact. energy: 0.878
local terms energy: -35.449726
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -3.360
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: 5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -214.693271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.693271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.693271 (E_RNA)
where:
Base-Base interactions energy: -141.726
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.102
local terms energy: -72.864991
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -11.781
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: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -200.536002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.536002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.536002 (E_RNA)
where:
Base-Base interactions energy: -123.418
where: short stacking energy: -68.885
Base-Backbone interact. energy: -1.301
local terms energy: -75.817289
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -20.051
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: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -178.700577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.700577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.700577 (E_RNA)
where:
Base-Base interactions energy: -103.138
where: short stacking energy: -56.505
Base-Backbone interact. energy: -0.066
local terms energy: -75.496680
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -11.436
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: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -189.510849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.510849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.510849 (E_RNA)
where:
Base-Base interactions energy: -113.318
where: short stacking energy: -63.898
Base-Backbone interact. energy: -2.038
local terms energy: -74.154779
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -10.139
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: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -163.149745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.149745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.149745 (E_RNA)
where:
Base-Base interactions energy: -107.385
where: short stacking energy: -51.316
Base-Backbone interact. energy: -0.611
local terms energy: -55.152915
where:
bonds (distance) C4'-P energy: -7.442
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -138.436398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.436398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.436398 (E_RNA)
where:
Base-Base interactions energy: -78.865
where: short stacking energy: -39.194
Base-Backbone interact. energy: -0.142
local terms energy: -59.429793
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -101.990018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.990018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.990018 (E_RNA)
where:
Base-Base interactions energy: -38.282
where: short stacking energy: -34.078
Base-Backbone interact. energy: 1.161
local terms energy: -64.869274
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -9.790
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: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -77.791293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.791293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.791293 (E_RNA)
where:
Base-Base interactions energy: -32.993
where: short stacking energy: -29.506
Base-Backbone interact. energy: 1.420
local terms energy: -46.218700
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -1.337
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: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -79.003054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.003054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.003054 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -21.107
Base-Backbone interact. energy: -0.342
local terms energy: -48.298426
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: 2.399
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: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -81.983997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.983997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.983997 (E_RNA)
where:
Base-Base interactions energy: -30.409
where: short stacking energy: -26.296
Base-Backbone interact. energy: -1.423
local terms energy: -50.151715
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -210.524831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.524831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.524831 (E_RNA)
where:
Base-Base interactions energy: -125.285
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.923
local terms energy: -84.317373
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -14.135
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: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -204.912548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.912548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.912548 (E_RNA)
where:
Base-Base interactions energy: -130.526
where: short stacking energy: -64.797
Base-Backbone interact. energy: -0.027
local terms energy: -74.359510
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -203.525939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.525939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.525939 (E_RNA)
where:
Base-Base interactions energy: -128.354
where: short stacking energy: -72.619
Base-Backbone interact. energy: -0.394
local terms energy: -74.778086
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -21.559
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: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -173.737862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.737862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.737862 (E_RNA)
where:
Base-Base interactions energy: -100.338
where: short stacking energy: -52.888
Base-Backbone interact. energy: -0.302
local terms energy: -73.098223
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -155.501335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.501335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.501335 (E_RNA)
where:
Base-Base interactions energy: -94.293
where: short stacking energy: -48.129
Base-Backbone interact. energy: -0.161
local terms energy: -61.047558
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -109.904375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.904375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.904375 (E_RNA)
where:
Base-Base interactions energy: -51.893
where: short stacking energy: -33.773
Base-Backbone interact. energy: 0.175
local terms energy: -58.186584
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -7.680
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: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -109.462527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.462527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.462527 (E_RNA)
where:
Base-Base interactions energy: -57.792
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.014
local terms energy: -51.657183
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -6.398
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -88.677889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.677889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.677889 (E_RNA)
where:
Base-Base interactions energy: -40.658
where: short stacking energy: -34.453
Base-Backbone interact. energy: 0.210
local terms energy: -48.229716
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -8.464
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -5.158
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: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -84.597353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.597353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.597353 (E_RNA)
where:
Base-Base interactions energy: -30.461
where: short stacking energy: -30.461
Base-Backbone interact. energy: -0.016
local terms energy: -54.119595
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -74.998244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.998244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.998244 (E_RNA)
where:
Base-Base interactions energy: -30.424
where: short stacking energy: -30.424
Base-Backbone interact. energy: -0.898
local terms energy: -43.675961
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -206.729182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.729182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.729182 (E_RNA)
where:
Base-Base interactions energy: -139.074
where: short stacking energy: -70.151
Base-Backbone interact. energy: -0.224
local terms energy: -67.431608
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -20.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -207.959556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.959556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.959556 (E_RNA)
where:
Base-Base interactions energy: -133.158
where: short stacking energy: -61.314
Base-Backbone interact. energy: -0.855
local terms energy: -73.947048
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -195.137148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.137148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.137148 (E_RNA)
where:
Base-Base interactions energy: -118.689
where: short stacking energy: -66.824
Base-Backbone interact. energy: -2.127
local terms energy: -74.321177
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -163.422628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.422628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.422628 (E_RNA)
where:
Base-Base interactions energy: -102.088
where: short stacking energy: -49.331
Base-Backbone interact. energy: -0.017
local terms energy: -61.317795
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -169.596871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.596871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.596871 (E_RNA)
where:
Base-Base interactions energy: -98.744
where: short stacking energy: -54.036
Base-Backbone interact. energy: -0.425
local terms energy: -70.427824
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -94.732070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.732070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.732070 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -31.679
Base-Backbone interact. energy: -0.100
local terms energy: -52.938863
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -9.372
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -4.458
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: 237
Temperature: 1.200000
Total energy: -111.808670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.808670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.808670 (E_RNA)
where:
Base-Base interactions energy: -65.312
where: short stacking energy: -25.603
Base-Backbone interact. energy: -0.645
local terms energy: -45.852018
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -4.849
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: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -93.630667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.630667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.630667 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -40.862
Base-Backbone interact. energy: -0.003
local terms energy: -49.136776
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -3.654
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: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -90.240253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240253 (E_RNA)
where:
Base-Base interactions energy: -32.768
where: short stacking energy: -29.169
Base-Backbone interact. energy: -0.039
local terms energy: -57.433079
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -70.437602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.437602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.437602 (E_RNA)
where:
Base-Base interactions energy: -27.211
where: short stacking energy: -22.270
Base-Backbone interact. energy: -0.111
local terms energy: -43.115589
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: 3.427
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: 238
Temperature: 0.900000
Total energy: -213.948654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.948654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.948654 (E_RNA)
where:
Base-Base interactions energy: -142.118
where: short stacking energy: -63.438
Base-Backbone interact. energy: -0.126
local terms energy: -71.704984
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -203.867853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.867853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.867853 (E_RNA)
where:
Base-Base interactions energy: -127.865
where: short stacking energy: -66.130
Base-Backbone interact. energy: -0.002
local terms energy: -76.000718
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -190.575727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.575727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.575727 (E_RNA)
where:
Base-Base interactions energy: -116.290
where: short stacking energy: -53.200
Base-Backbone interact. energy: -0.155
local terms energy: -74.131224
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -15.315
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: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -162.220810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.220810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.220810 (E_RNA)
where:
Base-Base interactions energy: -94.575
where: short stacking energy: -54.267
Base-Backbone interact. energy: -0.520
local terms energy: -67.125733
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -11.100
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: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -157.481562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.481562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.481562 (E_RNA)
where:
Base-Base interactions energy: -93.852
where: short stacking energy: -47.948
Base-Backbone interact. energy: -0.145
local terms energy: -63.484118
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -104.687658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.687658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.687658 (E_RNA)
where:
Base-Base interactions energy: -39.622
where: short stacking energy: -39.622
Base-Backbone interact. energy: -0.290
local terms energy: -64.776195
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -150.204785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.204785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.204785 (E_RNA)
where:
Base-Base interactions energy: -92.258
where: short stacking energy: -48.274
Base-Backbone interact. energy: -0.222
local terms energy: -57.724767
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -86.859816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.859816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.859816 (E_RNA)
where:
Base-Base interactions energy: -43.806
where: short stacking energy: -31.088
Base-Backbone interact. energy: -0.503
local terms energy: -42.549862
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -86.812188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.812188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.812188 (E_RNA)
where:
Base-Base interactions energy: -34.599
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.167
local terms energy: -52.046428
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: 1.030
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: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -81.143536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.143536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.143536 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -24.563
Base-Backbone interact. energy: -0.428
local terms energy: -46.514861
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -1.626
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: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -216.858581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.858581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.858581 (E_RNA)
where:
Base-Base interactions energy: -146.705
where: short stacking energy: -62.727
Base-Backbone interact. energy: -0.188
local terms energy: -69.965299
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -187.997144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.997144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.997144 (E_RNA)
where:
Base-Base interactions energy: -114.111
where: short stacking energy: -53.160
Base-Backbone interact. energy: -0.141
local terms energy: -73.745632
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -194.377919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.377919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.377919 (E_RNA)
where:
Base-Base interactions energy: -117.445
where: short stacking energy: -72.066
Base-Backbone interact. energy: -0.631
local terms energy: -76.301381
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -161.354009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.354009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.354009 (E_RNA)
where:
Base-Base interactions energy: -98.780
where: short stacking energy: -56.969
Base-Backbone interact. energy: -0.445
local terms energy: -62.128510
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -163.698675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.698675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.698675 (E_RNA)
where:
Base-Base interactions energy: -95.380
where: short stacking energy: -52.688
Base-Backbone interact. energy: -0.032
local terms energy: -68.286683
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -10.750
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: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -99.885125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.885125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.885125 (E_RNA)
where:
Base-Base interactions energy: -46.182
where: short stacking energy: -31.230
Base-Backbone interact. energy: -1.225
local terms energy: -52.478516
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -6.262
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -82.988646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.988646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.988646 (E_RNA)
where:
Base-Base interactions energy: -29.787
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.540
local terms energy: -52.661692
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -121.874160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.874160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.874160 (E_RNA)
where:
Base-Base interactions energy: -65.437
where: short stacking energy: -34.867
Base-Backbone interact. energy: -0.137
local terms energy: -56.299883
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -7.067
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: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -72.799325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.799325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.799325 (E_RNA)
where:
Base-Base interactions energy: -22.976
where: short stacking energy: -22.138
Base-Backbone interact. energy: -0.368
local terms energy: -49.454878
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: 1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.807074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.807074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.807074 (E_RNA)
where:
Base-Base interactions energy: -26.086
where: short stacking energy: -26.086
Base-Backbone interact. energy: -0.260
local terms energy: -50.461632
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -9.039
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: 240
Temperature: 0.900000
Total energy: -205.506729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.506729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.506729 (E_RNA)
where:
Base-Base interactions energy: -131.257
where: short stacking energy: -55.492
Base-Backbone interact. energy: -0.028
local terms energy: -74.221151
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -16.311
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: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -177.479967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.479967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.479967 (E_RNA)
where:
Base-Base interactions energy: -110.509
where: short stacking energy: -54.070
Base-Backbone interact. energy: -0.466
local terms energy: -66.504747
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -14.280
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: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -171.384042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.384042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.384042 (E_RNA)
where:
Base-Base interactions energy: -97.209
where: short stacking energy: -61.613
Base-Backbone interact. energy: -2.452
local terms energy: -71.723203
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -14.033
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: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -205.398465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.398465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.398465 (E_RNA)
where:
Base-Base interactions energy: -135.013
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.026
local terms energy: -70.358888
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -160.135815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.135815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.135815 (E_RNA)
where:
Base-Base interactions energy: -98.471
where: short stacking energy: -53.519
Base-Backbone interact. energy: -0.105
local terms energy: -61.559609
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -124.705660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.705660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.705660 (E_RNA)
where:
Base-Base interactions energy: -70.009
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.506
local terms energy: -54.191372
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -7.492
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: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -127.931921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.931921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.931921 (E_RNA)
where:
Base-Base interactions energy: -71.813
where: short stacking energy: -34.163
Base-Backbone interact. energy: -0.614
local terms energy: -55.504874
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -8.881
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: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -88.112753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.112753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.112753 (E_RNA)
where:
Base-Base interactions energy: -32.549
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.060
local terms energy: -55.503378
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -79.552526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.552526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.552526 (E_RNA)
where:
Base-Base interactions energy: -34.790
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.226
local terms energy: -44.536409
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -82.240165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.240165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.240165 (E_RNA)
where:
Base-Base interactions energy: -28.498
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.005
local terms energy: -53.736929
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -212.576510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.576510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.576510 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.006
local terms energy: -78.142768
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -20.228
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: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -195.469031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.469031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.469031 (E_RNA)
where:
Base-Base interactions energy: -119.007
where: short stacking energy: -67.202
Base-Backbone interact. energy: -1.916
local terms energy: -74.545630
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -151.584766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.584766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.584766 (E_RNA)
where:
Base-Base interactions energy: -83.737
where: short stacking energy: -52.527
Base-Backbone interact. energy: -0.129
local terms energy: -67.718979
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -187.683292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.683292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.683292 (E_RNA)
where:
Base-Base interactions energy: -125.591
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.002
local terms energy: -62.090428
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -16.323
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: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -157.024589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.024589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.024589 (E_RNA)
where:
Base-Base interactions energy: -93.045
where: short stacking energy: -53.707
Base-Backbone interact. energy: -0.332
local terms energy: -63.646880
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -13.277
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: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -144.732584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.732584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.732584 (E_RNA)
where:
Base-Base interactions energy: -84.876
where: short stacking energy: -45.880
Base-Backbone interact. energy: -0.446
local terms energy: -59.410362
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -5.847
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: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -122.577537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.577537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.577537 (E_RNA)
where:
Base-Base interactions energy: -68.780
where: short stacking energy: -41.581
Base-Backbone interact. energy: -0.503
local terms energy: -53.295168
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -9.562
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -87.260949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.260949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.260949 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -32.179
Base-Backbone interact. energy: -0.027
local terms energy: -53.761494
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -87.694087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.694087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.694087 (E_RNA)
where:
Base-Base interactions energy: -33.111
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.003
local terms energy: -54.580517
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -73.826384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.826384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.826384 (E_RNA)
where:
Base-Base interactions energy: -28.411
where: short stacking energy: -27.544
Base-Backbone interact. energy: -0.495
local terms energy: -44.920271
where:
bonds (distance) C4'-P energy: -6.062
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -212.260329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.260329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.260329 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -58.836
Base-Backbone interact. energy: -0.063
local terms energy: -78.835947
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -194.953041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.953041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.953041 (E_RNA)
where:
Base-Base interactions energy: -126.226
where: short stacking energy: -73.474
Base-Backbone interact. energy: 0.255
local terms energy: -68.982587
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -176.069763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.069763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.069763 (E_RNA)
where:
Base-Base interactions energy: -106.333
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.029
local terms energy: -69.708487
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -164.916306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.916306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.916306 (E_RNA)
where:
Base-Base interactions energy: -102.133
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.514
local terms energy: -62.268622
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -152.162874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.162874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.162874 (E_RNA)
where:
Base-Base interactions energy: -94.313
where: short stacking energy: -53.748
Base-Backbone interact. energy: -0.107
local terms energy: -57.743535
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -8.838
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: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -152.303686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.303686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.303686 (E_RNA)
where:
Base-Base interactions energy: -92.605
where: short stacking energy: -49.994
Base-Backbone interact. energy: -0.008
local terms energy: -59.690510
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.719
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: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -93.189126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.189126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.189126 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -36.035
Base-Backbone interact. energy: -0.224
local terms energy: -56.930917
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -80.253801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.253801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.253801 (E_RNA)
where:
Base-Base interactions energy: -29.630
where: short stacking energy: -16.928
Base-Backbone interact. energy: -0.100
local terms energy: -50.523349
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -81.648717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.648717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.648717 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -22.139
Base-Backbone interact. energy: -0.160
local terms energy: -52.525621
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -81.359956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.359956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.359956 (E_RNA)
where:
Base-Base interactions energy: -29.109
where: short stacking energy: -29.051
Base-Backbone interact. energy: -0.073
local terms energy: -52.178498
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: 0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -212.339723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.339723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.339723 (E_RNA)
where:
Base-Base interactions energy: -135.936
where: short stacking energy: -65.981
Base-Backbone interact. energy: -0.288
local terms energy: -76.115624
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.479
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: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -176.447128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.447128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.447128 (E_RNA)
where:
Base-Base interactions energy: -100.834
where: short stacking energy: -51.027
Base-Backbone interact. energy: -2.546
local terms energy: -73.066737
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -10.594
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: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -187.450338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.450338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.450338 (E_RNA)
where:
Base-Base interactions energy: -120.244
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.037
local terms energy: -67.169836
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -166.611502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.611502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.611502 (E_RNA)
where:
Base-Base interactions energy: -98.546
where: short stacking energy: -54.134
Base-Backbone interact. energy: -0.386
local terms energy: -67.680214
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -11.838
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: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -165.751617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.751617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.751617 (E_RNA)
where:
Base-Base interactions energy: -94.072
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.082
local terms energy: -71.598014
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -134.245048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.245048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.245048 (E_RNA)
where:
Base-Base interactions energy: -82.383
where: short stacking energy: -47.156
Base-Backbone interact. energy: -0.337
local terms energy: -51.524940
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -91.352231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.352231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.352231 (E_RNA)
where:
Base-Base interactions energy: -42.148
where: short stacking energy: -27.373
Base-Backbone interact. energy: -1.408
local terms energy: -47.796775
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: 0.335
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: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -91.859222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.859222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.859222 (E_RNA)
where:
Base-Base interactions energy: -40.506
where: short stacking energy: -31.286
Base-Backbone interact. energy: -0.017
local terms energy: -51.336466
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -2.859
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -80.409444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.409444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.409444 (E_RNA)
where:
Base-Base interactions energy: -27.410
where: short stacking energy: -28.310
Base-Backbone interact. energy: -0.265
local terms energy: -52.734002
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -85.358756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.358756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.358756 (E_RNA)
where:
Base-Base interactions energy: -45.049
where: short stacking energy: -25.590
Base-Backbone interact. energy: -0.117
local terms energy: -40.193201
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -7.794
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: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -213.007970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.007970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.007970 (E_RNA)
where:
Base-Base interactions energy: -132.639
where: short stacking energy: -60.866
Base-Backbone interact. energy: -0.033
local terms energy: -80.335827
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -202.881371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.881371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.881371 (E_RNA)
where:
Base-Base interactions energy: -124.652
where: short stacking energy: -69.841
Base-Backbone interact. energy: -1.054
local terms energy: -77.175723
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -197.980888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.980888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.980888 (E_RNA)
where:
Base-Base interactions energy: -122.853
where: short stacking energy: -66.509
Base-Backbone interact. energy: -0.093
local terms energy: -75.034310
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -19.357
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: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -182.103701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.103701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.103701 (E_RNA)
where:
Base-Base interactions energy: -111.066
where: short stacking energy: -60.946
Base-Backbone interact. energy: -0.071
local terms energy: -70.966437
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -15.574
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: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -147.732562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.732562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.732562 (E_RNA)
where:
Base-Base interactions energy: -85.841
where: short stacking energy: -43.975
Base-Backbone interact. energy: 0.959
local terms energy: -62.851093
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -8.128
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: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -148.435295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.435295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.435295 (E_RNA)
where:
Base-Base interactions energy: -88.836
where: short stacking energy: -52.594
Base-Backbone interact. energy: -0.010
local terms energy: -59.589511
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -12.502
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: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -120.490219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.490219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.490219 (E_RNA)
where:
Base-Base interactions energy: -61.552
where: short stacking energy: -35.112
Base-Backbone interact. energy: -0.487
local terms energy: -58.450878
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -90.721531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.721531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.721531 (E_RNA)
where:
Base-Base interactions energy: -35.376
where: short stacking energy: -30.866
Base-Backbone interact. energy: -0.096
local terms energy: -55.248951
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -88.372596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.372596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.372596 (E_RNA)
where:
Base-Base interactions energy: -36.456
where: short stacking energy: -34.010
Base-Backbone interact. energy: -0.985
local terms energy: -50.931139
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -7.719
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: 244
Temperature: 1.350000
Total energy: -82.871957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.871957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.871957 (E_RNA)
where:
Base-Base interactions energy: -35.253
where: short stacking energy: -32.658
Base-Backbone interact. energy: -0.672
local terms energy: -46.946989
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -213.241985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.241985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.241985 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.158
local terms energy: -77.847653
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -196.660052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.660052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.660052 (E_RNA)
where:
Base-Base interactions energy: -121.482
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.284
local terms energy: -74.894249
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -192.517787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.517787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.517787 (E_RNA)
where:
Base-Base interactions energy: -121.043
where: short stacking energy: -71.983
Base-Backbone interact. energy: -2.437
local terms energy: -69.038596
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -160.519716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.519716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.519716 (E_RNA)
where:
Base-Base interactions energy: -98.681
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.298
local terms energy: -61.540370
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -178.898392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.898392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.898392 (E_RNA)
where:
Base-Base interactions energy: -112.868
where: short stacking energy: -65.377
Base-Backbone interact. energy: -0.014
local terms energy: -66.016355
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -145.535106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.535106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.535106 (E_RNA)
where:
Base-Base interactions energy: -86.349
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.179
local terms energy: -59.007354
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -87.869228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.869228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.869228 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -32.918
Base-Backbone interact. energy: -0.074
local terms energy: -52.365787
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -91.339536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.339536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.339536 (E_RNA)
where:
Base-Base interactions energy: -38.386
where: short stacking energy: -38.386
Base-Backbone interact. energy: 1.428
local terms energy: -54.380821
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -3.425
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -85.837132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.837132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.837132 (E_RNA)
where:
Base-Base interactions energy: -42.508
where: short stacking energy: -31.806
Base-Backbone interact. energy: -0.401
local terms energy: -42.927789
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -87.436779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.436779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.436779 (E_RNA)
where:
Base-Base interactions energy: -36.251
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.050
local terms energy: -51.135270
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -7.515
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: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -209.712847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.712847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.712847 (E_RNA)
where:
Base-Base interactions energy: -132.129
where: short stacking energy: -64.660
Base-Backbone interact. energy: -0.465
local terms energy: -77.118521
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -187.610418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.610418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.610418 (E_RNA)
where:
Base-Base interactions energy: -119.908
where: short stacking energy: -51.503
Base-Backbone interact. energy: -0.098
local terms energy: -67.604673
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -13.190
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: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -186.386664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.386664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.386664 (E_RNA)
where:
Base-Base interactions energy: -111.184
where: short stacking energy: -63.837
Base-Backbone interact. energy: -0.147
local terms energy: -75.056124
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -181.369184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.369184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.369184 (E_RNA)
where:
Base-Base interactions energy: -110.469
where: short stacking energy: -58.046
Base-Backbone interact. energy: -0.551
local terms energy: -70.348652
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -157.998137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.998137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.998137 (E_RNA)
where:
Base-Base interactions energy: -92.643
where: short stacking energy: -49.781
Base-Backbone interact. energy: -0.152
local terms energy: -65.203343
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -6.495
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: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -159.166102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.166102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.166102 (E_RNA)
where:
Base-Base interactions energy: -95.554
where: short stacking energy: -56.080
Base-Backbone interact. energy: -0.020
local terms energy: -63.592182
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -12.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -98.360862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.360862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.360862 (E_RNA)
where:
Base-Base interactions energy: -35.604
where: short stacking energy: -35.504
Base-Backbone interact. energy: -0.036
local terms energy: -62.720344
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -9.522
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: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -82.783869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.783869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.783869 (E_RNA)
where:
Base-Base interactions energy: -34.313
where: short stacking energy: -34.219
Base-Backbone interact. energy: -0.030
local terms energy: -48.440923
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -1.766
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -89.953835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.953835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.953835 (E_RNA)
where:
Base-Base interactions energy: -27.896
where: short stacking energy: -26.841
Base-Backbone interact. energy: -0.064
local terms energy: -61.994103
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -87.023242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.023242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.023242 (E_RNA)
where:
Base-Base interactions energy: -30.605
where: short stacking energy: -27.043
Base-Backbone interact. energy: -0.036
local terms energy: -56.382378
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -8.104
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: 247
Temperature: 0.900000
Total energy: -211.655387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.655387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.655387 (E_RNA)
where:
Base-Base interactions energy: -133.969
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.234
local terms energy: -77.451867
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -186.657508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.657508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.657508 (E_RNA)
where:
Base-Base interactions energy: -118.425
where: short stacking energy: -59.441
Base-Backbone interact. energy: -1.911
local terms energy: -66.321649
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -6.893
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: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -174.906897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.906897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.906897 (E_RNA)
where:
Base-Base interactions energy: -104.955
where: short stacking energy: -49.792
Base-Backbone interact. energy: -0.457
local terms energy: -69.495459
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -10.064
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: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -188.982090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.982090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.982090 (E_RNA)
where:
Base-Base interactions energy: -116.366
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.041
local terms energy: -72.574984
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -155.944090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.944090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.944090 (E_RNA)
where:
Base-Base interactions energy: -94.945
where: short stacking energy: -53.130
Base-Backbone interact. energy: -0.046
local terms energy: -60.953069
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -148.933296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.933296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.933296 (E_RNA)
where:
Base-Base interactions energy: -88.269
where: short stacking energy: -53.016
Base-Backbone interact. energy: 1.068
local terms energy: -61.731934
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -11.681
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: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -113.498189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.498189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.498189 (E_RNA)
where:
Base-Base interactions energy: -50.811
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.132
local terms energy: -62.555227
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -9.310
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: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -85.066872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.066872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.066872 (E_RNA)
where:
Base-Base interactions energy: -31.943
where: short stacking energy: -31.943
Base-Backbone interact. energy: -0.156
local terms energy: -52.967831
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -80.499789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.499789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.499789 (E_RNA)
where:
Base-Base interactions energy: -32.492
where: short stacking energy: -32.492
Base-Backbone interact. energy: -0.141
local terms energy: -47.866548
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -85.478553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.478553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.478553 (E_RNA)
where:
Base-Base interactions energy: -33.459
where: short stacking energy: -17.438
Base-Backbone interact. energy: -0.239
local terms energy: -51.779891
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -209.232385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.232385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232385 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.100
local terms energy: -72.596773
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -6.825
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: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -199.266109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.266109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.266109 (E_RNA)
where:
Base-Base interactions energy: -124.728
where: short stacking energy: -66.094
Base-Backbone interact. energy: -0.021
local terms energy: -74.517220
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -167.006851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.006851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.006851 (E_RNA)
where:
Base-Base interactions energy: -93.282
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.175
local terms energy: -73.550059
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -166.808639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.808639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.808639 (E_RNA)
where:
Base-Base interactions energy: -103.020
where: short stacking energy: -56.551
Base-Backbone interact. energy: -0.004
local terms energy: -63.784467
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -153.275484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.275484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.275484 (E_RNA)
where:
Base-Base interactions energy: -89.475
where: short stacking energy: -42.333
Base-Backbone interact. energy: -0.192
local terms energy: -63.608447
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -11.492
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: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -144.601406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.601406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.601406 (E_RNA)
where:
Base-Base interactions energy: -84.855
where: short stacking energy: -36.593
Base-Backbone interact. energy: -0.263
local terms energy: -59.483658
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -98.827169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.827169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.827169 (E_RNA)
where:
Base-Base interactions energy: -47.253
where: short stacking energy: -45.467
Base-Backbone interact. energy: 1.003
local terms energy: -52.576953
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -85.001422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.001422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.001422 (E_RNA)
where:
Base-Base interactions energy: -37.701
where: short stacking energy: -21.662
Base-Backbone interact. energy: -0.721
local terms energy: -46.578636
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: 4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -83.120560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.120560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.120560 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -34.633
Base-Backbone interact. energy: -0.104
local terms energy: -47.125160
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -4.947
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: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -73.946945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.946945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.946945 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -24.625
Base-Backbone interact. energy: -0.146
local terms energy: -44.647895
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -6.971
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -215.648091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.648091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.648091 (E_RNA)
where:
Base-Base interactions energy: -137.740
where: short stacking energy: -62.179
Base-Backbone interact. energy: -0.248
local terms energy: -77.660342
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -16.565
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: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -188.542099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.542099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.542099 (E_RNA)
where:
Base-Base interactions energy: -123.363
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.107
local terms energy: -65.072229
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -204.134944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.134944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.134944 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -73.018
Base-Backbone interact. energy: -0.001
local terms energy: -73.625772
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -181.645732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.645732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.645732 (E_RNA)
where:
Base-Base interactions energy: -108.402
where: short stacking energy: -57.746
Base-Backbone interact. energy: -1.017
local terms energy: -72.227002
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -18.941
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: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -160.976629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.976629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.976629 (E_RNA)
where:
Base-Base interactions energy: -93.742
where: short stacking energy: -52.046
Base-Backbone interact. energy: -0.080
local terms energy: -67.154602
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -9.851
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: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -159.765984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.765984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.765984 (E_RNA)
where:
Base-Base interactions energy: -96.798
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.005
local terms energy: -62.962969
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -90.390137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.390137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.390137 (E_RNA)
where:
Base-Base interactions energy: -41.650
where: short stacking energy: -38.226
Base-Backbone interact. energy: -0.710
local terms energy: -48.030707
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -4.762
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: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -79.828734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.828734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.828734 (E_RNA)
where:
Base-Base interactions energy: -28.710
where: short stacking energy: -28.710
Base-Backbone interact. energy: -0.221
local terms energy: -50.897530
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -89.970698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.970698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.970698 (E_RNA)
where:
Base-Base interactions energy: -43.990
where: short stacking energy: -33.675
Base-Backbone interact. energy: 1.401
local terms energy: -47.381562
where:
bonds (distance) C4'-P energy: -6.651
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -2.741
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: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -78.201114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.201114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.201114 (E_RNA)
where:
Base-Base interactions energy: -21.760
where: short stacking energy: -20.902
Base-Backbone interact. energy: -0.158
local terms energy: -56.282497
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -218.155039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.155039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.155039 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.056
local terms energy: -78.013830
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -189.032959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.032959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.032959 (E_RNA)
where:
Base-Base interactions energy: -115.700
where: short stacking energy: -61.196
Base-Backbone interact. energy: -0.310
local terms energy: -73.023677
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -174.990492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.990492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.990492 (E_RNA)
where:
Base-Base interactions energy: -110.750
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.043
local terms energy: -64.197044
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -13.025
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: 250
Temperature: 1.050000
Total energy: -181.606172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.606172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.606172 (E_RNA)
where:
Base-Base interactions energy: -116.878
where: short stacking energy: -55.365
Base-Backbone interact. energy: -0.029
local terms energy: -64.699632
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -169.147859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.147859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.147859 (E_RNA)
where:
Base-Base interactions energy: -106.594
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.723
local terms energy: -61.830615
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -154.765024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.765024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.765024 (E_RNA)
where:
Base-Base interactions energy: -87.202
where: short stacking energy: -46.648
Base-Backbone interact. energy: -0.684
local terms energy: -66.879076
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -113.839759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.839759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.839759 (E_RNA)
where:
Base-Base interactions energy: -61.568
where: short stacking energy: -50.557
Base-Backbone interact. energy: -0.014
local terms energy: -52.257555
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -82.045397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.045397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.045397 (E_RNA)
where:
Base-Base interactions energy: -32.836
where: short stacking energy: -20.855
Base-Backbone interact. energy: -0.717
local terms energy: -48.492134
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -12.698
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: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -89.721487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721487 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -36.498
Base-Backbone interact. energy: -0.136
local terms energy: -47.209545
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -98.918819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.918819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.918819 (E_RNA)
where:
Base-Base interactions energy: -53.854
where: short stacking energy: -30.174
Base-Backbone interact. energy: -0.161
local terms energy: -44.904287
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -3.915
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -217.802764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.802764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.802764 (E_RNA)
where:
Base-Base interactions energy: -138.819
where: short stacking energy: -70.007
Base-Backbone interact. energy: -0.564
local terms energy: -78.419907
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -195.655843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.655843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.655843 (E_RNA)
where:
Base-Base interactions energy: -122.571
where: short stacking energy: -59.054
Base-Backbone interact. energy: -0.007
local terms energy: -73.077380
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -8.277
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: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -175.816524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.816524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.816524 (E_RNA)
where:
Base-Base interactions energy: -104.852
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.183
local terms energy: -70.781870
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -156.564073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.564073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.564073 (E_RNA)
where:
Base-Base interactions energy: -97.654
where: short stacking energy: -48.921
Base-Backbone interact. energy: -0.566
local terms energy: -58.343209
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -8.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -159.946996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.946996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.946996 (E_RNA)
where:
Base-Base interactions energy: -98.082
where: short stacking energy: -47.251
Base-Backbone interact. energy: -0.517
local terms energy: -61.347516
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -10.016
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: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -151.881757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.881757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.881757 (E_RNA)
where:
Base-Base interactions energy: -87.650
where: short stacking energy: -45.208
Base-Backbone interact. energy: -0.251
local terms energy: -63.980518
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -119.825241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.825241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.825241 (E_RNA)
where:
Base-Base interactions energy: -61.587
where: short stacking energy: -34.059
Base-Backbone interact. energy: -0.126
local terms energy: -58.112592
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -80.850515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.850515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.850515 (E_RNA)
where:
Base-Base interactions energy: -34.494
where: short stacking energy: -31.298
Base-Backbone interact. energy: -0.225
local terms energy: -46.132080
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -91.079286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.079286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.079286 (E_RNA)
where:
Base-Base interactions energy: -41.496
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.004
local terms energy: -49.579378
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -73.681143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.681143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.681143 (E_RNA)
where:
Base-Base interactions energy: -19.534
where: short stacking energy: -18.608
Base-Backbone interact. energy: -0.154
local terms energy: -53.993099
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -223.431978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.431978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.431978 (E_RNA)
where:
Base-Base interactions energy: -143.786
where: short stacking energy: -67.539
Base-Backbone interact. energy: 0.768
local terms energy: -80.414580
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -13.272
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: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -202.179458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.179458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.179458 (E_RNA)
where:
Base-Base interactions energy: -123.828
where: short stacking energy: -67.591
Base-Backbone interact. energy: -1.345
local terms energy: -77.006420
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -170.552795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.552795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.552795 (E_RNA)
where:
Base-Base interactions energy: -103.650
where: short stacking energy: -51.652
Base-Backbone interact. energy: -0.061
local terms energy: -66.841827
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -180.343976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.343976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.343976 (E_RNA)
where:
Base-Base interactions energy: -108.421
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.006
local terms energy: -71.917345
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -155.389571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.389571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.389571 (E_RNA)
where:
Base-Base interactions energy: -92.860
where: short stacking energy: -36.454
Base-Backbone interact. energy: -0.292
local terms energy: -62.237317
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -154.304488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.304488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.304488 (E_RNA)
where:
Base-Base interactions energy: -97.945
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.574
local terms energy: -55.785313
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -10.621
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: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -89.534627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534627 (E_RNA)
where:
Base-Base interactions energy: -35.618
where: short stacking energy: -21.805
Base-Backbone interact. energy: -0.073
local terms energy: -53.844136
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -92.503062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.503062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.503062 (E_RNA)
where:
Base-Base interactions energy: -39.386
where: short stacking energy: -36.347
Base-Backbone interact. energy: -0.304
local terms energy: -52.813506
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -83.734897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.734897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.734897 (E_RNA)
where:
Base-Base interactions energy: -32.798
where: short stacking energy: -26.416
Base-Backbone interact. energy: -0.456
local terms energy: -50.481411
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: -4.238
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: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -72.827930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.827930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.827930 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -26.652
Base-Backbone interact. energy: -0.133
local terms energy: -46.042810
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -7.309
flat angles P-C4'-P energy: -8.475
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: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -223.378951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.378951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.378951 (E_RNA)
where:
Base-Base interactions energy: -140.997
where: short stacking energy: -71.028
Base-Backbone interact. energy: -0.096
local terms energy: -82.285898
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -190.059270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.059270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.059270 (E_RNA)
where:
Base-Base interactions energy: -116.592
where: short stacking energy: -59.658
Base-Backbone interact. energy: -0.667
local terms energy: -72.799664
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -187.625591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.625591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.625591 (E_RNA)
where:
Base-Base interactions energy: -120.309
where: short stacking energy: -60.941
Base-Backbone interact. energy: -0.122
local terms energy: -67.195172
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -14.982
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: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -182.396895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.396895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.396895 (E_RNA)
where:
Base-Base interactions energy: -103.274
where: short stacking energy: -54.727
Base-Backbone interact. energy: -0.187
local terms energy: -78.935663
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -163.305564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.305564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.305564 (E_RNA)
where:
Base-Base interactions energy: -107.198
where: short stacking energy: -51.818
Base-Backbone interact. energy: -0.111
local terms energy: -55.997380
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -8.417
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -13.026
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: 253
Temperature: 1.150000
Total energy: -151.561322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.561322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.561322 (E_RNA)
where:
Base-Base interactions energy: -95.703
where: short stacking energy: -56.411
Base-Backbone interact. energy: -0.123
local terms energy: -55.735404
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -7.773
flat angles P-C4'-P energy: -8.335
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: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -85.044657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.044657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.044657 (E_RNA)
where:
Base-Base interactions energy: -35.707
where: short stacking energy: -35.707
Base-Backbone interact. energy: -0.085
local terms energy: -49.253155
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -95.331437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.331437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.331437 (E_RNA)
where:
Base-Base interactions energy: -42.799
where: short stacking energy: -36.752
Base-Backbone interact. energy: -1.198
local terms energy: -51.334471
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -8.941
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: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -95.881578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.881578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.881578 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -27.654
Base-Backbone interact. energy: -0.158
local terms energy: -50.072724
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -79.471455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.471455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.471455 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -20.719
Base-Backbone interact. energy: -0.127
local terms energy: -47.268154
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -212.885057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.885057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.885057 (E_RNA)
where:
Base-Base interactions energy: -133.748
where: short stacking energy: -68.998
Base-Backbone interact. energy: -0.423
local terms energy: -78.714267
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -185.823320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.823320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.823320 (E_RNA)
where:
Base-Base interactions energy: -115.953
where: short stacking energy: -53.288
Base-Backbone interact. energy: -0.585
local terms energy: -69.285279
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -169.488646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.488646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.488646 (E_RNA)
where:
Base-Base interactions energy: -107.620
where: short stacking energy: -52.388
Base-Backbone interact. energy: -0.193
local terms energy: -61.674950
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -158.486012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.486012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.486012 (E_RNA)
where:
Base-Base interactions energy: -100.538
where: short stacking energy: -54.821
Base-Backbone interact. energy: 0.233
local terms energy: -58.180742
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -12.275
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: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -147.073405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.073405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.073405 (E_RNA)
where:
Base-Base interactions energy: -85.652
where: short stacking energy: -43.649
Base-Backbone interact. energy: -0.156
local terms energy: -61.265607
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -145.105763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.105763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.105763 (E_RNA)
where:
Base-Base interactions energy: -83.559
where: short stacking energy: -51.098
Base-Backbone interact. energy: 0.328
local terms energy: -61.873989
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -101.445374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.445374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.445374 (E_RNA)
where:
Base-Base interactions energy: -42.983
where: short stacking energy: -41.587
Base-Backbone interact. energy: 1.133
local terms energy: -59.595413
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -11.589
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: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -79.095831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.095831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.095831 (E_RNA)
where:
Base-Base interactions energy: -41.878
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.590
local terms energy: -36.627628
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: 0.540
tors. eta vs tors. theta energy: -5.658
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: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -91.653939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.653939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.653939 (E_RNA)
where:
Base-Base interactions energy: -42.060
where: short stacking energy: -26.787
Base-Backbone interact. energy: 0.553
local terms energy: -50.147046
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -76.906610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.906610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.906610 (E_RNA)
where:
Base-Base interactions energy: -30.404
where: short stacking energy: -27.340
Base-Backbone interact. energy: -0.156
local terms energy: -46.345961
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -5.466
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: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -217.854739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.854739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.854739 (E_RNA)
where:
Base-Base interactions energy: -140.017
where: short stacking energy: -76.178
Base-Backbone interact. energy: -0.037
local terms energy: -77.800878
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -176.698658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.698658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.698658 (E_RNA)
where:
Base-Base interactions energy: -111.390
where: short stacking energy: -58.586
Base-Backbone interact. energy: -0.863
local terms energy: -64.445487
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -11.528
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: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -182.878420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.878420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.878420 (E_RNA)
where:
Base-Base interactions energy: -114.919
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.728
local terms energy: -67.231421
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -15.760
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: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -153.974634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.974634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.974634 (E_RNA)
where:
Base-Base interactions energy: -91.617
where: short stacking energy: -48.868
Base-Backbone interact. energy: 0.207
local terms energy: -62.564650
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -146.160988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.160988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.160988 (E_RNA)
where:
Base-Base interactions energy: -83.749
where: short stacking energy: -48.981
Base-Backbone interact. energy: -0.124
local terms energy: -62.288063
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -1.442
tors. eta vs tors. theta energy: -11.449
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: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -150.617495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.617495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.617495 (E_RNA)
where:
Base-Base interactions energy: -100.118
where: short stacking energy: -50.056
Base-Backbone interact. energy: 0.983
local terms energy: -51.482364
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -83.642654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.642654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.642654 (E_RNA)
where:
Base-Base interactions energy: -31.317
where: short stacking energy: -31.317
Base-Backbone interact. energy: -0.013
local terms energy: -52.312453
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -3.141
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: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -86.360392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.360392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.360392 (E_RNA)
where:
Base-Base interactions energy: -39.369
where: short stacking energy: -38.662
Base-Backbone interact. energy: -0.102
local terms energy: -46.889166
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -5.699
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -81.693225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.693225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.693225 (E_RNA)
where:
Base-Base interactions energy: -34.255
where: short stacking energy: -31.608
Base-Backbone interact. energy: -0.137
local terms energy: -47.301338
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: 0.460
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: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -84.030090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.030090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.030090 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -36.238
Base-Backbone interact. energy: 0.802
local terms energy: -48.594034
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -7.478
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: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -209.634079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.634079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.634079 (E_RNA)
where:
Base-Base interactions energy: -129.397
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.190
local terms energy: -80.047166
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -182.599400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.599400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.599400 (E_RNA)
where:
Base-Base interactions energy: -111.782
where: short stacking energy: -56.767
Base-Backbone interact. energy: -1.299
local terms energy: -69.518181
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -11.546
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: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -174.977134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.977134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.977134 (E_RNA)
where:
Base-Base interactions energy: -108.363
where: short stacking energy: -57.363
Base-Backbone interact. energy: 0.196
local terms energy: -66.810351
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -11.367
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -161.237999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.237999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.237999 (E_RNA)
where:
Base-Base interactions energy: -102.665
where: short stacking energy: -54.198
Base-Backbone interact. energy: -0.099
local terms energy: -58.474092
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -8.850
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: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -151.261785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.261785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.261785 (E_RNA)
where:
Base-Base interactions energy: -89.086
where: short stacking energy: -49.274
Base-Backbone interact. energy: -0.007
local terms energy: -62.168910
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -139.380763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.380763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.380763 (E_RNA)
where:
Base-Base interactions energy: -71.623
where: short stacking energy: -39.314
Base-Backbone interact. energy: 0.697
local terms energy: -68.454642
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -86.628029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.628029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.628029 (E_RNA)
where:
Base-Base interactions energy: -27.328
where: short stacking energy: -22.177
Base-Backbone interact. energy: -0.286
local terms energy: -59.013445
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -97.983753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.983753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.983753 (E_RNA)
where:
Base-Base interactions energy: -45.200
where: short stacking energy: -45.200
Base-Backbone interact. energy: -0.029
local terms energy: -52.754922
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -76.888829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.888829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.888829 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -24.854
Base-Backbone interact. energy: -0.121
local terms energy: -46.808054
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -87.730173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.730173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.730173 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -35.325
Base-Backbone interact. energy: -0.014
local terms energy: -49.287790
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -6.004
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: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -210.937096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.937096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.937096 (E_RNA)
where:
Base-Base interactions energy: -131.434
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.583
local terms energy: -78.919493
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -176.850686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.850686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.850686 (E_RNA)
where:
Base-Base interactions energy: -111.468
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.019
local terms energy: -65.363137
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -170.169320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.169320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.169320 (E_RNA)
where:
Base-Base interactions energy: -105.287
where: short stacking energy: -51.512
Base-Backbone interact. energy: -1.849
local terms energy: -63.032757
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -168.314129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.314129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.314129 (E_RNA)
where:
Base-Base interactions energy: -97.191
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.040
local terms energy: -71.083268
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -13.700
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: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -168.825355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.825355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.825355 (E_RNA)
where:
Base-Base interactions energy: -110.623
where: short stacking energy: -44.234
Base-Backbone interact. energy: -0.163
local terms energy: -58.038602
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -102.905861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.905861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.905861 (E_RNA)
where:
Base-Base interactions energy: -42.617
where: short stacking energy: -42.617
Base-Backbone interact. energy: -0.041
local terms energy: -60.247399
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -86.862015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.862015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.862015 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -34.244
Base-Backbone interact. energy: -0.053
local terms energy: -52.564795
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -86.132280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.132280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.132280 (E_RNA)
where:
Base-Base interactions energy: -39.945
where: short stacking energy: -36.776
Base-Backbone interact. energy: -0.094
local terms energy: -46.093812
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -8.395
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -94.204371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.204371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.204371 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -37.810
Base-Backbone interact. energy: -0.083
local terms energy: -56.310529
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -7.142
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: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -80.930147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.930147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.930147 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -26.625
Base-Backbone interact. energy: -0.012
local terms energy: -47.948957
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -4.672
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -2.927
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: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -213.690111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.690111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.690111 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.112
local terms energy: -77.799939
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -186.201122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.201122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.201122 (E_RNA)
where:
Base-Base interactions energy: -108.614
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.249
local terms energy: -77.338213
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -175.399702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.399702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.399702 (E_RNA)
where:
Base-Base interactions energy: -99.914
where: short stacking energy: -66.888
Base-Backbone interact. energy: -0.180
local terms energy: -75.305239
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -17.803
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: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -179.548222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.548222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.548222 (E_RNA)
where:
Base-Base interactions energy: -110.032
where: short stacking energy: -53.401
Base-Backbone interact. energy: -0.166
local terms energy: -69.350778
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -167.738877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.738877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.738877 (E_RNA)
where:
Base-Base interactions energy: -105.250
where: short stacking energy: -55.015
Base-Backbone interact. energy: -0.291
local terms energy: -62.197815
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -8.960
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -106.633156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.633156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.633156 (E_RNA)
where:
Base-Base interactions energy: -40.507
where: short stacking energy: -39.156
Base-Backbone interact. energy: 0.056
local terms energy: -66.181868
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -11.280
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: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -86.452038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.452038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.452038 (E_RNA)
where:
Base-Base interactions energy: -29.396
where: short stacking energy: -21.362
Base-Backbone interact. energy: 0.226
local terms energy: -57.281312
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -6.082
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: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -93.693007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.693007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.693007 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -36.836
Base-Backbone interact. energy: -0.218
local terms energy: -53.739417
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -82.920960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.920960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.920960 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -33.656
Base-Backbone interact. energy: -0.677
local terms energy: -41.462537
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -90.570310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.570310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.570310 (E_RNA)
where:
Base-Base interactions energy: -33.185
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.570
local terms energy: -56.815572
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -6.602
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: 259
Temperature: 0.900000
Total energy: -208.628541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.628541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.628541 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -62.014
Base-Backbone interact. energy: -0.672
local terms energy: -81.542845
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -184.289367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.289367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.289367 (E_RNA)
where:
Base-Base interactions energy: -116.218
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.433
local terms energy: -67.638962
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -176.645921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.645921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.645921 (E_RNA)
where:
Base-Base interactions energy: -105.695
where: short stacking energy: -51.572
Base-Backbone interact. energy: -0.542
local terms energy: -70.408397
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -176.557177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.557177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.557177 (E_RNA)
where:
Base-Base interactions energy: -103.575
where: short stacking energy: -62.790
Base-Backbone interact. energy: -1.065
local terms energy: -71.917315
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -9.099
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: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -171.471533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.471533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.471533 (E_RNA)
where:
Base-Base interactions energy: -104.277
where: short stacking energy: -53.334
Base-Backbone interact. energy: -0.001
local terms energy: -67.193978
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -14.088
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: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -96.651524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.651524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.651524 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -36.302
Base-Backbone interact. energy: -0.156
local terms energy: -59.828003
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -86.759851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.759851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.759851 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.127
local terms energy: -52.669033
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -89.839554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.839554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.839554 (E_RNA)
where:
Base-Base interactions energy: -35.629
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.314
local terms energy: -53.896491
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -6.525
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: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -77.257180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.257180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.257180 (E_RNA)
where:
Base-Base interactions energy: -26.258
where: short stacking energy: -22.167
Base-Backbone interact. energy: -1.683
local terms energy: -49.316605
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -77.892873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.892873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.892873 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -27.906
Base-Backbone interact. energy: -0.277
local terms energy: -44.377668
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -204.326257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326257 (E_RNA)
where:
Base-Base interactions energy: -133.548
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.097
local terms energy: -70.680518
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -190.490280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.490280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.490280 (E_RNA)
where:
Base-Base interactions energy: -115.723
where: short stacking energy: -61.735
Base-Backbone interact. energy: -0.411
local terms energy: -74.356067
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -176.890049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.890049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.890049 (E_RNA)
where:
Base-Base interactions energy: -102.157
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.858
local terms energy: -73.874515
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -14.400
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: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -175.212707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.212707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.212707 (E_RNA)
where:
Base-Base interactions energy: -102.845
where: short stacking energy: -56.233
Base-Backbone interact. energy: -0.283
local terms energy: -72.084265
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -148.417073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.417073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.417073 (E_RNA)
where:
Base-Base interactions energy: -94.758
where: short stacking energy: -43.767
Base-Backbone interact. energy: 0.097
local terms energy: -53.755551
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -5.232
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: 260
Temperature: 1.150000
Total energy: -84.517780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.517780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.517780 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.084
local terms energy: -47.716184
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: 0.539
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -96.349949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349949 (E_RNA)
where:
Base-Base interactions energy: -42.623
where: short stacking energy: -29.403
Base-Backbone interact. energy: -0.101
local terms energy: -53.625868
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -86.755344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.755344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.755344 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -21.901
Base-Backbone interact. energy: -0.059
local terms energy: -54.660205
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -77.439365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.439365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.439365 (E_RNA)
where:
Base-Base interactions energy: -29.749
where: short stacking energy: -25.171
Base-Backbone interact. energy: 0.476
local terms energy: -48.165599
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -73.421784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.421784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.421784 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -23.143
Base-Backbone interact. energy: -0.028
local terms energy: -45.759673
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: 0.150
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: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -214.048061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.048061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.048061 (E_RNA)
where:
Base-Base interactions energy: -131.340
where: short stacking energy: -58.982
Base-Backbone interact. energy: -1.144
local terms energy: -81.564059
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -193.603679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.603679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.603679 (E_RNA)
where:
Base-Base interactions energy: -124.549
where: short stacking energy: -66.548
Base-Backbone interact. energy: 0.617
local terms energy: -69.671804
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -174.797661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.797661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.797661 (E_RNA)
where:
Base-Base interactions energy: -108.080
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.068
local terms energy: -66.649213
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -13.885
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: 261
Temperature: 1.050000
Total energy: -172.138357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.138357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.138357 (E_RNA)
where:
Base-Base interactions energy: -98.858
where: short stacking energy: -66.228
Base-Backbone interact. energy: -1.171
local terms energy: -72.109058
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -156.777728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.777728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.777728 (E_RNA)
where:
Base-Base interactions energy: -96.460
where: short stacking energy: -50.232
Base-Backbone interact. energy: -1.244
local terms energy: -59.073702
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -11.069
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: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -102.050643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.050643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.050643 (E_RNA)
where:
Base-Base interactions energy: -40.708
where: short stacking energy: -37.580
Base-Backbone interact. energy: -0.070
local terms energy: -61.272753
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -86.583937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.583937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.583937 (E_RNA)
where:
Base-Base interactions energy: -46.517
where: short stacking energy: -27.763
Base-Backbone interact. energy: -0.187
local terms energy: -39.879504
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -0.623
tors. eta vs tors. theta energy: 0.154
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: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -92.872477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.872477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.872477 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -37.757
Base-Backbone interact. energy: -0.130
local terms energy: -54.986208
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -86.780367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.780367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.780367 (E_RNA)
where:
Base-Base interactions energy: -43.550
where: short stacking energy: -29.869
Base-Backbone interact. energy: -0.080
local terms energy: -43.150822
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -2.061
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: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -84.451041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.451041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.451041 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -25.864
Base-Backbone interact. energy: -1.024
local terms energy: -53.076043
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -7.462
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: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -210.069597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.069597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.069597 (E_RNA)
where:
Base-Base interactions energy: -128.178
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.001
local terms energy: -81.890473
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -20.524
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: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -209.564420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.564420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.564420 (E_RNA)
where:
Base-Base interactions energy: -135.355
where: short stacking energy: -62.053
Base-Backbone interact. energy: -0.274
local terms energy: -73.935569
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -11.462
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: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -181.675383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.675383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.675383 (E_RNA)
where:
Base-Base interactions energy: -105.763
where: short stacking energy: -68.984
Base-Backbone interact. energy: -1.909
local terms energy: -74.003695
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -174.133608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.133608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.133608 (E_RNA)
where:
Base-Base interactions energy: -100.704
where: short stacking energy: -54.707
Base-Backbone interact. energy: -0.046
local terms energy: -73.383945
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -7.704
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: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -146.135402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.135402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.135402 (E_RNA)
where:
Base-Base interactions energy: -82.989
where: short stacking energy: -40.738
Base-Backbone interact. energy: -0.565
local terms energy: -62.581925
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -106.985093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.985093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.985093 (E_RNA)
where:
Base-Base interactions energy: -49.475
where: short stacking energy: -49.475
Base-Backbone interact. energy: -0.132
local terms energy: -57.378395
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -104.119042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.119042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.119042 (E_RNA)
where:
Base-Base interactions energy: -51.940
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.742
local terms energy: -51.437158
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -4.947
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: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -100.087903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.087903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.087903 (E_RNA)
where:
Base-Base interactions energy: -46.985
where: short stacking energy: -24.175
Base-Backbone interact. energy: -0.223
local terms energy: -52.880075
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -79.535894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.535894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.535894 (E_RNA)
where:
Base-Base interactions energy: -30.480
where: short stacking energy: -30.171
Base-Backbone interact. energy: -0.131
local terms energy: -48.925067
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -3.394
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: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -81.058893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.058893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.058893 (E_RNA)
where:
Base-Base interactions energy: -29.062
where: short stacking energy: -28.718
Base-Backbone interact. energy: -0.155
local terms energy: -51.841237
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -4.961
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: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -199.273330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.273330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.273330 (E_RNA)
where:
Base-Base interactions energy: -128.565
where: short stacking energy: -63.577
Base-Backbone interact. energy: -0.021
local terms energy: -70.687030
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -201.566021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.566021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.566021 (E_RNA)
where:
Base-Base interactions energy: -128.022
where: short stacking energy: -62.139
Base-Backbone interact. energy: -0.204
local terms energy: -73.339208
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -188.724280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.724280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.724280 (E_RNA)
where:
Base-Base interactions energy: -117.529
where: short stacking energy: -61.009
Base-Backbone interact. energy: -0.385
local terms energy: -70.810591
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -140.495970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.495970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.495970 (E_RNA)
where:
Base-Base interactions energy: -75.454
where: short stacking energy: -45.016
Base-Backbone interact. energy: -0.241
local terms energy: -64.801261
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -174.883582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.883582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.883582 (E_RNA)
where:
Base-Base interactions energy: -108.084
where: short stacking energy: -60.444
Base-Backbone interact. energy: -0.250
local terms energy: -66.549270
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -19.025
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: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -99.804923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.804923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.804923 (E_RNA)
where:
Base-Base interactions energy: -38.846
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.214
local terms energy: -60.745544
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -95.291289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.291289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.291289 (E_RNA)
where:
Base-Base interactions energy: -35.984
where: short stacking energy: -35.965
Base-Backbone interact. energy: -0.270
local terms energy: -59.036448
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -76.918939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.918939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.918939 (E_RNA)
where:
Base-Base interactions energy: -24.956
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.077
local terms energy: -51.885847
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -1.961
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -128.047643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.047643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.047643 (E_RNA)
where:
Base-Base interactions energy: -75.879
where: short stacking energy: -40.857
Base-Backbone interact. energy: -0.039
local terms energy: -52.130238
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -85.448372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.448372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.448372 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -27.364
Base-Backbone interact. energy: 0.202
local terms energy: -46.078335
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -209.824633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.824633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.824633 (E_RNA)
where:
Base-Base interactions energy: -132.287
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.009
local terms energy: -77.528448
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -187.306306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.306306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.306306 (E_RNA)
where:
Base-Base interactions energy: -114.628
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.003
local terms energy: -72.674845
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -15.763
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: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -157.173383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.173383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.173383 (E_RNA)
where:
Base-Base interactions energy: -90.600
where: short stacking energy: -52.976
Base-Backbone interact. energy: -0.027
local terms energy: -66.546639
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -178.901317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.901317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.901317 (E_RNA)
where:
Base-Base interactions energy: -111.809
where: short stacking energy: -67.835
Base-Backbone interact. energy: -0.043
local terms energy: -67.048868
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -161.117762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.117762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.117762 (E_RNA)
where:
Base-Base interactions energy: -97.466
where: short stacking energy: -53.152
Base-Backbone interact. energy: -0.146
local terms energy: -63.505198
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -112.907721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.907721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.907721 (E_RNA)
where:
Base-Base interactions energy: -59.553
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.870
local terms energy: -52.484041
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -86.799619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.799619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.799619 (E_RNA)
where:
Base-Base interactions energy: -33.479
where: short stacking energy: -33.479
Base-Backbone interact. energy: -0.109
local terms energy: -53.212283
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: 0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -83.421051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.421051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.421051 (E_RNA)
where:
Base-Base interactions energy: -41.342
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.685
local terms energy: -41.394019
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -83.170419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.170419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.170419 (E_RNA)
where:
Base-Base interactions energy: -40.709
where: short stacking energy: -29.258
Base-Backbone interact. energy: -0.110
local terms energy: -42.351632
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -6.174
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: 0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -125.002483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.002483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.002483 (E_RNA)
where:
Base-Base interactions energy: -79.009
where: short stacking energy: -38.258
Base-Backbone interact. energy: 3.061
local terms energy: -49.054626
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -210.090214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.090214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.090214 (E_RNA)
where:
Base-Base interactions energy: -133.980
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.112
local terms energy: -75.998835
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -207.915450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.915450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.915450 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -78.860
Base-Backbone interact. energy: -0.010
local terms energy: -78.949426
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -181.452057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.452057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.452057 (E_RNA)
where:
Base-Base interactions energy: -109.105
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.009
local terms energy: -72.338718
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -147.659097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.659097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.659097 (E_RNA)
where:
Base-Base interactions energy: -77.802
where: short stacking energy: -51.673
Base-Backbone interact. energy: -0.013
local terms energy: -69.843997
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -10.664
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: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -175.006133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.006133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.006133 (E_RNA)
where:
Base-Base interactions energy: -99.763
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.101
local terms energy: -75.142161
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -108.792817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.792817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.792817 (E_RNA)
where:
Base-Base interactions energy: -47.857
where: short stacking energy: -45.052
Base-Backbone interact. energy: -0.094
local terms energy: -60.842312
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -86.200150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.200150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.200150 (E_RNA)
where:
Base-Base interactions energy: -38.739
where: short stacking energy: -32.385
Base-Backbone interact. energy: 0.531
local terms energy: -47.992096
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -3.263
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: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -89.495801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.495801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.495801 (E_RNA)
where:
Base-Base interactions energy: -36.210
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.085
local terms energy: -53.200843
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -84.563449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.563449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.563449 (E_RNA)
where:
Base-Base interactions energy: -29.790
where: short stacking energy: -23.758
Base-Backbone interact. energy: -0.012
local terms energy: -54.761431
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -2.363
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: 265
Temperature: 1.350000
Total energy: -131.988358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.988358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.988358 (E_RNA)
where:
Base-Base interactions energy: -81.055
where: short stacking energy: -43.126
Base-Backbone interact. energy: -0.192
local terms energy: -50.741900
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -216.336787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.336787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.336787 (E_RNA)
where:
Base-Base interactions energy: -131.088
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.171
local terms energy: -85.078250
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -201.081244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.081244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.081244 (E_RNA)
where:
Base-Base interactions energy: -123.374
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.254
local terms energy: -77.453160
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -166.971079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.971079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.971079 (E_RNA)
where:
Base-Base interactions energy: -100.448
where: short stacking energy: -53.345
Base-Backbone interact. energy: -0.008
local terms energy: -66.515980
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -173.128210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.128210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.128210 (E_RNA)
where:
Base-Base interactions energy: -104.711
where: short stacking energy: -51.804
Base-Backbone interact. energy: -0.235
local terms energy: -68.182276
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -149.646500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.646500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.646500 (E_RNA)
where:
Base-Base interactions energy: -85.618
where: short stacking energy: -49.100
Base-Backbone interact. energy: -0.094
local terms energy: -63.934634
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -102.456472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.456472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.456472 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -39.273
Base-Backbone interact. energy: 0.897
local terms energy: -61.222442
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -5.962
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: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -96.545676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.545676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.545676 (E_RNA)
where:
Base-Base interactions energy: -45.437
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.100
local terms energy: -51.008942
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -83.061279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.061279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.061279 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -31.841
Base-Backbone interact. energy: 1.731
local terms energy: -51.463700
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -3.734
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: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -91.352266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.352266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.352266 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.104
local terms energy: -57.027022
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -5.099
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: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -91.674514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.674514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.674514 (E_RNA)
where:
Base-Base interactions energy: -41.666
where: short stacking energy: -28.540
Base-Backbone interact. energy: 1.075
local terms energy: -51.083243
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -209.549073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549073 (E_RNA)
where:
Base-Base interactions energy: -133.425
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.182
local terms energy: -75.941706
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -199.256048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.256048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.256048 (E_RNA)
where:
Base-Base interactions energy: -121.953
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.013
local terms energy: -77.290424
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -173.229252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.229252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.229252 (E_RNA)
where:
Base-Base interactions energy: -102.300
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.354
local terms energy: -70.574978
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -9.811
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: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -154.290091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.290091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.290091 (E_RNA)
where:
Base-Base interactions energy: -92.682
where: short stacking energy: -51.058
Base-Backbone interact. energy: 2.342
local terms energy: -63.950712
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -10.185
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: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -168.611846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.611846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.611846 (E_RNA)
where:
Base-Base interactions energy: -104.632
where: short stacking energy: -54.302
Base-Backbone interact. energy: -0.096
local terms energy: -63.883630
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -13.886
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: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -106.690969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.690969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.690969 (E_RNA)
where:
Base-Base interactions energy: -49.482
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.066
local terms energy: -57.142841
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -8.546
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: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -111.332400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.332400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.332400 (E_RNA)
where:
Base-Base interactions energy: -50.784
where: short stacking energy: -50.784
Base-Backbone interact. energy: -0.007
local terms energy: -60.541207
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -11.494
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: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -88.319404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.319404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.319404 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.116
local terms energy: -52.977209
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -7.089
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: 267
Temperature: 1.300000
Total energy: -83.422778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.422778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.422778 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -32.090
Base-Backbone interact. energy: -0.089
local terms energy: -51.243646
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -85.228010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.228010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.228010 (E_RNA)
where:
Base-Base interactions energy: -26.596
where: short stacking energy: -24.948
Base-Backbone interact. energy: -1.068
local terms energy: -57.564023
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -201.542492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.542492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.542492 (E_RNA)
where:
Base-Base interactions energy: -130.187
where: short stacking energy: -64.117
Base-Backbone interact. energy: -0.125
local terms energy: -71.230166
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -190.787380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.787380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.787380 (E_RNA)
where:
Base-Base interactions energy: -118.337
where: short stacking energy: -57.135
Base-Backbone interact. energy: -0.942
local terms energy: -71.508589
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -179.010437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.010437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.010437 (E_RNA)
where:
Base-Base interactions energy: -110.089
where: short stacking energy: -58.222
Base-Backbone interact. energy: -1.545
local terms energy: -67.376730
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -7.347
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: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -164.774870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.774870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.774870 (E_RNA)
where:
Base-Base interactions energy: -108.372
where: short stacking energy: -54.264
Base-Backbone interact. energy: -0.202
local terms energy: -56.200902
where:
bonds (distance) C4'-P energy: -3.728
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -11.297
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -111.228675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.228675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.228675 (E_RNA)
where:
Base-Base interactions energy: -47.888
where: short stacking energy: -47.888
Base-Backbone interact. energy: 0.126
local terms energy: -63.466796
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -152.346104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.346104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.346104 (E_RNA)
where:
Base-Base interactions energy: -88.016
where: short stacking energy: -47.927
Base-Backbone interact. energy: -0.398
local terms energy: -63.932119
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -12.354
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: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -88.196196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.196196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.196196 (E_RNA)
where:
Base-Base interactions energy: -38.123
where: short stacking energy: -33.229
Base-Backbone interact. energy: -0.077
local terms energy: -49.995521
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -3.949
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: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -94.559111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.559111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.559111 (E_RNA)
where:
Base-Base interactions energy: -43.210
where: short stacking energy: -32.658
Base-Backbone interact. energy: 0.746
local terms energy: -52.095961
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -84.653218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.653218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.653218 (E_RNA)
where:
Base-Base interactions energy: -29.113
where: short stacking energy: -29.113
Base-Backbone interact. energy: -0.015
local terms energy: -55.525162
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -83.457411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.457411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.457411 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.024
local terms energy: -47.889395
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -209.674335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.674335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.674335 (E_RNA)
where:
Base-Base interactions energy: -136.706
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.419
local terms energy: -72.548566
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -191.775898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.775898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.775898 (E_RNA)
where:
Base-Base interactions energy: -116.076
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.357
local terms energy: -75.343441
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -20.718
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: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -185.505993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.505993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.505993 (E_RNA)
where:
Base-Base interactions energy: -110.644
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.013
local terms energy: -74.848968
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -163.135272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.135272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.135272 (E_RNA)
where:
Base-Base interactions energy: -98.216
where: short stacking energy: -50.637
Base-Backbone interact. energy: -0.108
local terms energy: -64.811543
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -97.603140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.603140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.603140 (E_RNA)
where:
Base-Base interactions energy: -45.279
where: short stacking energy: -37.605
Base-Backbone interact. energy: -0.330
local terms energy: -51.994882
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -146.124103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.124103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.124103 (E_RNA)
where:
Base-Base interactions energy: -90.919
where: short stacking energy: -48.835
Base-Backbone interact. energy: -0.719
local terms energy: -54.487028
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -102.461312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.461312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.461312 (E_RNA)
where:
Base-Base interactions energy: -47.618
where: short stacking energy: -22.948
Base-Backbone interact. energy: -0.654
local terms energy: -54.189503
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: 1.082
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: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -96.858925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.858925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.858925 (E_RNA)
where:
Base-Base interactions energy: -39.355
where: short stacking energy: -39.355
Base-Backbone interact. energy: -1.063
local terms energy: -56.440522
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -79.887561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.887561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.887561 (E_RNA)
where:
Base-Base interactions energy: -35.094
where: short stacking energy: -35.094
Base-Backbone interact. energy: 0.157
local terms energy: -44.950808
where:
bonds (distance) C4'-P energy: -7.226
bonds (distance) P-C4' energy: -9.526
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -77.389546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.389546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.389546 (E_RNA)
where:
Base-Base interactions energy: -33.185
where: short stacking energy: -33.185
Base-Backbone interact. energy: 3.301
local terms energy: -47.505430
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -3.695
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: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -206.939943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.939943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.939943 (E_RNA)
where:
Base-Base interactions energy: -121.512
where: short stacking energy: -70.606
Base-Backbone interact. energy: -0.700
local terms energy: -84.727555
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -23.056
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: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -213.339582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.339582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.339582 (E_RNA)
where:
Base-Base interactions energy: -134.336
where: short stacking energy: -60.253
Base-Backbone interact. energy: 0.150
local terms energy: -79.153231
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -191.094305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.094305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.094305 (E_RNA)
where:
Base-Base interactions energy: -112.454
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.593
local terms energy: -78.047581
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -160.913070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.913070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.913070 (E_RNA)
where:
Base-Base interactions energy: -93.818
where: short stacking energy: -52.290
Base-Backbone interact. energy: -0.668
local terms energy: -66.427705
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -12.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -159.802510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.802510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.802510 (E_RNA)
where:
Base-Base interactions energy: -92.542
where: short stacking energy: -61.487
Base-Backbone interact. energy: -0.877
local terms energy: -66.383361
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -14.011
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: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -111.758534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.758534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.758534 (E_RNA)
where:
Base-Base interactions energy: -58.230
where: short stacking energy: -34.487
Base-Backbone interact. energy: -0.078
local terms energy: -53.450634
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -92.996551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.996551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.996551 (E_RNA)
where:
Base-Base interactions energy: -45.412
where: short stacking energy: -25.837
Base-Backbone interact. energy: -0.215
local terms energy: -47.369712
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -7.546
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: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -94.214642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.214642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.214642 (E_RNA)
where:
Base-Base interactions energy: -32.736
where: short stacking energy: -32.736
Base-Backbone interact. energy: -0.168
local terms energy: -61.310760
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -100.466189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.466189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.466189 (E_RNA)
where:
Base-Base interactions energy: -55.003
where: short stacking energy: -36.255
Base-Backbone interact. energy: -0.046
local terms energy: -45.417167
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -75.125087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.125087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.125087 (E_RNA)
where:
Base-Base interactions energy: -30.043
where: short stacking energy: -24.472
Base-Backbone interact. energy: -0.012
local terms energy: -45.069919
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -8.367
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: 4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -201.421489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.421489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.421489 (E_RNA)
where:
Base-Base interactions energy: -135.759
where: short stacking energy: -72.742
Base-Backbone interact. energy: -0.000
local terms energy: -65.662178
where:
bonds (distance) C4'-P energy: -7.765
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -214.509027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.509027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.509027 (E_RNA)
where:
Base-Base interactions energy: -137.503
where: short stacking energy: -65.910
Base-Backbone interact. energy: -0.146
local terms energy: -76.860240
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -182.266057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.266057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.266057 (E_RNA)
where:
Base-Base interactions energy: -115.638
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.089
local terms energy: -66.538948
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -12.388
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: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -177.453062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.453062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.453062 (E_RNA)
where:
Base-Base interactions energy: -110.065
where: short stacking energy: -58.356
Base-Backbone interact. energy: -0.255
local terms energy: -67.133122
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -165.331786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.331786 (E_RNA)
where:
Base-Base interactions energy: -103.824
where: short stacking energy: -53.948
Base-Backbone interact. energy: 0.094
local terms energy: -61.601698
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -12.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -117.529217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.529217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.529217 (E_RNA)
where:
Base-Base interactions energy: -61.978
where: short stacking energy: -37.555
Base-Backbone interact. energy: -0.075
local terms energy: -55.476920
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -122.280027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.280027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.280027 (E_RNA)
where:
Base-Base interactions energy: -68.292
where: short stacking energy: -32.399
Base-Backbone interact. energy: 2.186
local terms energy: -56.174074
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -3.964
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: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -91.958785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958785 (E_RNA)
where:
Base-Base interactions energy: -49.562
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.893
local terms energy: -41.504435
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -3.300
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -77.845366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.845366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.845366 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.401
local terms energy: -46.132338
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: 1.987
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: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -73.631335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.631335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.631335 (E_RNA)
where:
Base-Base interactions energy: -20.750
where: short stacking energy: -19.627
Base-Backbone interact. energy: -0.316
local terms energy: -52.565123
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -211.746101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.746101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.746101 (E_RNA)
where:
Base-Base interactions energy: -139.613
where: short stacking energy: -68.068
Base-Backbone interact. energy: -0.095
local terms energy: -72.037760
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -200.438660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.438660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.438660 (E_RNA)
where:
Base-Base interactions energy: -124.180
where: short stacking energy: -70.076
Base-Backbone interact. energy: -0.003
local terms energy: -76.255093
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -180.212157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.212157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.212157 (E_RNA)
where:
Base-Base interactions energy: -106.605
where: short stacking energy: -57.420
Base-Backbone interact. energy: -0.032
local terms energy: -73.574733
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -17.204
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: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -180.433975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.433975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.433975 (E_RNA)
where:
Base-Base interactions energy: -105.952
where: short stacking energy: -50.017
Base-Backbone interact. energy: -0.003
local terms energy: -74.478452
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -13.594
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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -135.370669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.370669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.370669 (E_RNA)
where:
Base-Base interactions energy: -79.388
where: short stacking energy: -48.260
Base-Backbone interact. energy: -0.271
local terms energy: -55.711099
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -9.094
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: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -148.716465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.716465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.716465 (E_RNA)
where:
Base-Base interactions energy: -92.917
where: short stacking energy: -46.277
Base-Backbone interact. energy: -0.115
local terms energy: -55.685353
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -140.257708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.257708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.257708 (E_RNA)
where:
Base-Base interactions energy: -88.757
where: short stacking energy: -40.876
Base-Backbone interact. energy: -0.375
local terms energy: -51.125623
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -8.721
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -6.348
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: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -103.552972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.552972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.552972 (E_RNA)
where:
Base-Base interactions energy: -56.179
where: short stacking energy: -36.059
Base-Backbone interact. energy: 0.039
local terms energy: -47.413216
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -6.268
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -3.570
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: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -74.574521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.574521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.574521 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -27.167
Base-Backbone interact. energy: -0.290
local terms energy: -42.788598
where:
bonds (distance) C4'-P energy: -3.980
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -77.045690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.045690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.045690 (E_RNA)
where:
Base-Base interactions energy: -26.441
where: short stacking energy: -25.885
Base-Backbone interact. energy: -0.136
local terms energy: -50.468490
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -213.826610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.826610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.826610 (E_RNA)
where:
Base-Base interactions energy: -136.524
where: short stacking energy: -69.986
Base-Backbone interact. energy: -0.990
local terms energy: -76.312061
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -192.495571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.495571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.495571 (E_RNA)
where:
Base-Base interactions energy: -125.488
where: short stacking energy: -64.889
Base-Backbone interact. energy: -0.069
local terms energy: -66.939330
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -15.208
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: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -197.351123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.351123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.351123 (E_RNA)
where:
Base-Base interactions energy: -120.611
where: short stacking energy: -64.488
Base-Backbone interact. energy: -0.001
local terms energy: -76.739358
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -20.738
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: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -182.215213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.215213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.215213 (E_RNA)
where:
Base-Base interactions energy: -122.081
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.005
local terms energy: -60.128285
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -19.159
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: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -158.263370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.263370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.263370 (E_RNA)
where:
Base-Base interactions energy: -96.006
where: short stacking energy: -52.353
Base-Backbone interact. energy: 3.339
local terms energy: -65.595679
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -158.273132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.273132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.273132 (E_RNA)
where:
Base-Base interactions energy: -93.377
where: short stacking energy: -43.745
Base-Backbone interact. energy: -0.399
local terms energy: -64.497305
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -148.541405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.541405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.541405 (E_RNA)
where:
Base-Base interactions energy: -86.753
where: short stacking energy: -41.997
Base-Backbone interact. energy: -0.086
local terms energy: -61.702548
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -8.579
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: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -93.299333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.299333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.299333 (E_RNA)
where:
Base-Base interactions energy: -39.399
where: short stacking energy: -39.399
Base-Backbone interact. energy: -0.172
local terms energy: -53.728512
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -88.552400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.552400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.552400 (E_RNA)
where:
Base-Base interactions energy: -38.766
where: short stacking energy: -38.766
Base-Backbone interact. energy: -0.049
local terms energy: -49.737699
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -90.934314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.934314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.934314 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -18.634
Base-Backbone interact. energy: -0.156
local terms energy: -50.896009
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -1.653
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: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -212.993734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.993734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.993734 (E_RNA)
where:
Base-Base interactions energy: -142.117
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.322
local terms energy: -70.555070
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -200.080883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.080883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.080883 (E_RNA)
where:
Base-Base interactions energy: -139.637
where: short stacking energy: -59.022
Base-Backbone interact. energy: -0.643
local terms energy: -59.800398
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -185.940004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.940004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.940004 (E_RNA)
where:
Base-Base interactions energy: -113.233
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.077
local terms energy: -72.629800
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -185.278663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.278663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.278663 (E_RNA)
where:
Base-Base interactions energy: -111.905
where: short stacking energy: -74.571
Base-Backbone interact. energy: -1.044
local terms energy: -72.330284
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -22.403
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: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -153.272581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.272581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.272581 (E_RNA)
where:
Base-Base interactions energy: -89.588
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.008
local terms energy: -63.676621
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -15.472
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: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -149.369674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.369674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.369674 (E_RNA)
where:
Base-Base interactions energy: -86.976
where: short stacking energy: -46.645
Base-Backbone interact. energy: -0.641
local terms energy: -61.751845
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -9.174
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: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -155.903323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.903323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.903323 (E_RNA)
where:
Base-Base interactions energy: -95.366
where: short stacking energy: -46.734
Base-Backbone interact. energy: -0.909
local terms energy: -59.628377
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -87.392077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.392077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.392077 (E_RNA)
where:
Base-Base interactions energy: -39.710
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.244
local terms energy: -47.438362
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -89.758307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.758307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.758307 (E_RNA)
where:
Base-Base interactions energy: -26.523
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.055
local terms energy: -63.180153
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -94.051327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.051327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.051327 (E_RNA)
where:
Base-Base interactions energy: -34.965
where: short stacking energy: -31.813
Base-Backbone interact. energy: -1.278
local terms energy: -57.807742
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -207.940252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.940252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.940252 (E_RNA)
where:
Base-Base interactions energy: -131.608
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.737
local terms energy: -75.594357
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -15.897
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: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -181.805270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.805270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.805270 (E_RNA)
where:
Base-Base interactions energy: -113.421
where: short stacking energy: -64.785
Base-Backbone interact. energy: 1.336
local terms energy: -69.720458
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -195.358424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.358424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.358424 (E_RNA)
where:
Base-Base interactions energy: -123.245
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.196
local terms energy: -71.916800
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -183.839280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.839280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.839280 (E_RNA)
where:
Base-Base interactions energy: -112.371
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.440
local terms energy: -71.027934
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -14.548
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: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -165.680144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.680144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.680144 (E_RNA)
where:
Base-Base interactions energy: -100.596
where: short stacking energy: -52.526
Base-Backbone interact. energy: 2.144
local terms energy: -67.228749
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -13.203
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: 275
Temperature: 1.150000
Total energy: -157.658755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.658755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.658755 (E_RNA)
where:
Base-Base interactions energy: -98.295
where: short stacking energy: -47.746
Base-Backbone interact. energy: 1.916
local terms energy: -61.279831
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -145.927666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.927666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.927666 (E_RNA)
where:
Base-Base interactions energy: -84.415
where: short stacking energy: -49.211
Base-Backbone interact. energy: -0.466
local terms energy: -61.046383
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -10.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -91.193075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.193075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.193075 (E_RNA)
where:
Base-Base interactions energy: -36.152
where: short stacking energy: -28.352
Base-Backbone interact. energy: -0.105
local terms energy: -54.936161
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -93.208469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.208469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.208469 (E_RNA)
where:
Base-Base interactions energy: -41.919
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.037
local terms energy: -51.252903
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: 0.829
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: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -86.646924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.646924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.646924 (E_RNA)
where:
Base-Base interactions energy: -32.389
where: short stacking energy: -32.389
Base-Backbone interact. energy: -0.470
local terms energy: -53.787497
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -213.030582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.030582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.030582 (E_RNA)
where:
Base-Base interactions energy: -136.843
where: short stacking energy: -71.662
Base-Backbone interact. energy: -0.029
local terms energy: -76.158003
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -198.245239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.245239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.245239 (E_RNA)
where:
Base-Base interactions energy: -128.057
where: short stacking energy: -55.805
Base-Backbone interact. energy: 0.846
local terms energy: -71.033374
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -173.170500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.170500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.170500 (E_RNA)
where:
Base-Base interactions energy: -101.512
where: short stacking energy: -61.605
Base-Backbone interact. energy: -0.037
local terms energy: -71.621027
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -12.189
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: 276
Temperature: 1.050000
Total energy: -180.628164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.628164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.628164 (E_RNA)
where:
Base-Base interactions energy: -121.592
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.900
local terms energy: -58.136230
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -162.910249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.910249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.910249 (E_RNA)
where:
Base-Base interactions energy: -100.068
where: short stacking energy: -50.855
Base-Backbone interact. energy: -0.162
local terms energy: -62.680619
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -146.232809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.232809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.232809 (E_RNA)
where:
Base-Base interactions energy: -88.486
where: short stacking energy: -45.367
Base-Backbone interact. energy: -0.381
local terms energy: -57.366256
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -142.115836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.115836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.115836 (E_RNA)
where:
Base-Base interactions energy: -83.229
where: short stacking energy: -46.542
Base-Backbone interact. energy: -0.873
local terms energy: -58.013778
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -3.108
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: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -93.603609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.603609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.603609 (E_RNA)
where:
Base-Base interactions energy: -44.206
where: short stacking energy: -36.303
Base-Backbone interact. energy: -0.145
local terms energy: -49.252424
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -81.459496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.459496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.459496 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -22.139
Base-Backbone interact. energy: -0.265
local terms energy: -49.962106
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.719
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: 276
Temperature: 1.350000
Total energy: -82.852521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.852521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.852521 (E_RNA)
where:
Base-Base interactions energy: -27.986
where: short stacking energy: -27.794
Base-Backbone interact. energy: 0.187
local terms energy: -55.052993
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -206.892194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.892194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.892194 (E_RNA)
where:
Base-Base interactions energy: -130.116
where: short stacking energy: -69.625
Base-Backbone interact. energy: -0.006
local terms energy: -76.770201
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -175.825027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.825027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.825027 (E_RNA)
where:
Base-Base interactions energy: -111.557
where: short stacking energy: -53.907
Base-Backbone interact. energy: 0.439
local terms energy: -64.707152
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -11.434
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: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -192.872569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.872569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.872569 (E_RNA)
where:
Base-Base interactions energy: -122.138
where: short stacking energy: -64.886
Base-Backbone interact. energy: -0.017
local terms energy: -70.716605
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -165.147471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.147471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.147471 (E_RNA)
where:
Base-Base interactions energy: -99.673
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.034
local terms energy: -65.440049
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -12.272
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: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -164.234788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.234788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.234788 (E_RNA)
where:
Base-Base interactions energy: -99.097
where: short stacking energy: -39.318
Base-Backbone interact. energy: -0.629
local terms energy: -64.508676
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -144.262146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.262146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.262146 (E_RNA)
where:
Base-Base interactions energy: -86.706
where: short stacking energy: -45.806
Base-Backbone interact. energy: -0.332
local terms energy: -57.223807
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -7.719
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: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -142.155500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.155500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.155500 (E_RNA)
where:
Base-Base interactions energy: -78.532
where: short stacking energy: -41.898
Base-Backbone interact. energy: -0.428
local terms energy: -63.196138
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -78.835607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.835607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.835607 (E_RNA)
where:
Base-Base interactions energy: -30.116
where: short stacking energy: -30.116
Base-Backbone interact. energy: -0.095
local terms energy: -48.624629
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -2.883
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: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -90.191900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.191900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.191900 (E_RNA)
where:
Base-Base interactions energy: -38.856
where: short stacking energy: -25.323
Base-Backbone interact. energy: -0.631
local terms energy: -50.704844
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -2.745
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: 277
Temperature: 1.350000
Total energy: -86.272322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.272322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.272322 (E_RNA)
where:
Base-Base interactions energy: -38.119
where: short stacking energy: -22.211
Base-Backbone interact. energy: 0.285
local terms energy: -48.437663
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -4.421
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -5.518
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: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -211.265064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.265064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.265064 (E_RNA)
where:
Base-Base interactions energy: -131.382
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.713
local terms energy: -79.169722
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -167.929262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.929262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.929262 (E_RNA)
where:
Base-Base interactions energy: -98.047
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.003
local terms energy: -69.879182
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -13.779
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: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -190.331774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.331774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.331774 (E_RNA)
where:
Base-Base interactions energy: -118.099
where: short stacking energy: -66.247
Base-Backbone interact. energy: -0.000
local terms energy: -72.232106
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -175.830463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.830463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.830463 (E_RNA)
where:
Base-Base interactions energy: -105.293
where: short stacking energy: -50.662
Base-Backbone interact. energy: -0.376
local terms energy: -70.160562
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -9.470
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: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -157.136704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.136704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.136704 (E_RNA)
where:
Base-Base interactions energy: -91.307
where: short stacking energy: -46.934
Base-Backbone interact. energy: 0.458
local terms energy: -66.288515
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -155.635630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.635630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.635630 (E_RNA)
where:
Base-Base interactions energy: -81.768
where: short stacking energy: -39.889
Base-Backbone interact. energy: -0.187
local terms energy: -73.680974
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -103.212290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.212290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.212290 (E_RNA)
where:
Base-Base interactions energy: -52.529
where: short stacking energy: -48.193
Base-Backbone interact. energy: -0.112
local terms energy: -50.571526
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -92.429776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429776 (E_RNA)
where:
Base-Base interactions energy: -34.794
where: short stacking energy: -34.697
Base-Backbone interact. energy: -0.005
local terms energy: -57.630896
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -92.368813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.368813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.368813 (E_RNA)
where:
Base-Base interactions energy: -40.711
where: short stacking energy: -32.083
Base-Backbone interact. energy: 1.262
local terms energy: -52.919221
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -78.673722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.673722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.673722 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.239
local terms energy: -45.126330
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -2.467
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: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -207.503075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.503075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.503075 (E_RNA)
where:
Base-Base interactions energy: -132.272
where: short stacking energy: -69.420
Base-Backbone interact. energy: -0.739
local terms energy: -74.491933
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -213.928961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.928961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.928961 (E_RNA)
where:
Base-Base interactions energy: -139.150
where: short stacking energy: -67.831
Base-Backbone interact. energy: -0.005
local terms energy: -74.774165
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -11.359
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: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -174.660636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.660636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.660636 (E_RNA)
where:
Base-Base interactions energy: -104.711
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.448
local terms energy: -69.501886
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -155.285625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.285625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.285625 (E_RNA)
where:
Base-Base interactions energy: -85.157
where: short stacking energy: -49.499
Base-Backbone interact. energy: -0.030
local terms energy: -70.098657
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -12.045
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: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -153.760355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.760355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.760355 (E_RNA)
where:
Base-Base interactions energy: -93.598
where: short stacking energy: -48.376
Base-Backbone interact. energy: -0.197
local terms energy: -59.965677
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -143.124205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.124205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.124205 (E_RNA)
where:
Base-Base interactions energy: -85.575
where: short stacking energy: -50.898
Base-Backbone interact. energy: -0.315
local terms energy: -57.234990
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -133.061501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.061501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.061501 (E_RNA)
where:
Base-Base interactions energy: -82.941
where: short stacking energy: -30.479
Base-Backbone interact. energy: -0.230
local terms energy: -49.889781
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -88.307859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.307859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.307859 (E_RNA)
where:
Base-Base interactions energy: -29.920
where: short stacking energy: -27.362
Base-Backbone interact. energy: -0.052
local terms energy: -58.335873
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -5.735
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: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -86.679193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.679193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.679193 (E_RNA)
where:
Base-Base interactions energy: -45.688
where: short stacking energy: -39.006
Base-Backbone interact. energy: -0.097
local terms energy: -40.894348
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -82.805341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805341 (E_RNA)
where:
Base-Base interactions energy: -33.217
where: short stacking energy: -29.667
Base-Backbone interact. energy: -0.251
local terms energy: -49.337424
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -209.752095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.752095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.752095 (E_RNA)
where:
Base-Base interactions energy: -136.217
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.130
local terms energy: -73.405718
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -191.214978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.214978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.214978 (E_RNA)
where:
Base-Base interactions energy: -118.031
where: short stacking energy: -62.067
Base-Backbone interact. energy: -0.271
local terms energy: -72.913429
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -175.018179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.018179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.018179 (E_RNA)
where:
Base-Base interactions energy: -107.213
where: short stacking energy: -58.213
Base-Backbone interact. energy: -0.018
local terms energy: -67.787781
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -170.099448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.099448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.099448 (E_RNA)
where:
Base-Base interactions energy: -100.234
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.996
local terms energy: -68.868935
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -169.641274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.641274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.641274 (E_RNA)
where:
Base-Base interactions energy: -105.002
where: short stacking energy: -57.155
Base-Backbone interact. energy: -0.074
local terms energy: -64.565384
where:
bonds (distance) C4'-P energy: -6.165
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -129.396903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.396903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.396903 (E_RNA)
where:
Base-Base interactions energy: -75.541
where: short stacking energy: -41.050
Base-Backbone interact. energy: 0.278
local terms energy: -54.133851
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -6.273
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -141.699412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.699412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.699412 (E_RNA)
where:
Base-Base interactions energy: -95.594
where: short stacking energy: -38.404
Base-Backbone interact. energy: -0.168
local terms energy: -45.936777
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: 0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -89.616774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.616774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.616774 (E_RNA)
where:
Base-Base interactions energy: -38.754
where: short stacking energy: -38.754
Base-Backbone interact. energy: 0.274
local terms energy: -51.136352
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -86.102580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.102580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.102580 (E_RNA)
where:
Base-Base interactions energy: -37.821
where: short stacking energy: -17.064
Base-Backbone interact. energy: -0.253
local terms energy: -48.028102
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: 5.144
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: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -86.097099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.097099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.097099 (E_RNA)
where:
Base-Base interactions energy: -35.071
where: short stacking energy: -25.846
Base-Backbone interact. energy: -0.302
local terms energy: -50.723968
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -216.195055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.195055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.195055 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -64.232
Base-Backbone interact. energy: -0.008
local terms energy: -70.871153
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -11.610
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: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -197.075831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.075831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.075831 (E_RNA)
where:
Base-Base interactions energy: -123.482
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.000
local terms energy: -73.593875
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -17.456
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: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -187.604759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.604759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.604759 (E_RNA)
where:
Base-Base interactions energy: -119.333
where: short stacking energy: -57.874
Base-Backbone interact. energy: -0.153
local terms energy: -68.118617
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -10.187
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: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -177.889395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.889395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.889395 (E_RNA)
where:
Base-Base interactions energy: -106.802
where: short stacking energy: -67.696
Base-Backbone interact. energy: 0.121
local terms energy: -71.207689
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -19.505
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: 281
Temperature: 1.100000
Total energy: -153.958559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.958559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.958559 (E_RNA)
where:
Base-Base interactions energy: -90.736
where: short stacking energy: -55.115
Base-Backbone interact. energy: 0.689
local terms energy: -63.912491
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -7.246
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: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -152.479273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.479273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.479273 (E_RNA)
where:
Base-Base interactions energy: -82.990
where: short stacking energy: -40.850
Base-Backbone interact. energy: -1.067
local terms energy: -68.422457
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -152.619035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.619035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.619035 (E_RNA)
where:
Base-Base interactions energy: -89.217
where: short stacking energy: -43.577
Base-Backbone interact. energy: 0.072
local terms energy: -63.473604
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -90.019055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.019055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.019055 (E_RNA)
where:
Base-Base interactions energy: -39.230
where: short stacking energy: -34.930
Base-Backbone interact. energy: 1.462
local terms energy: -52.251082
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -89.996851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.996851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.996851 (E_RNA)
where:
Base-Base interactions energy: -41.382
where: short stacking energy: -28.336
Base-Backbone interact. energy: -0.073
local terms energy: -48.541538
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -9.417
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: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -86.688533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.688533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.688533 (E_RNA)
where:
Base-Base interactions energy: -38.344
where: short stacking energy: -27.339
Base-Backbone interact. energy: -0.510
local terms energy: -47.835238
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: 0.069
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: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -205.410072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.410072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.410072 (E_RNA)
where:
Base-Base interactions energy: -132.064
where: short stacking energy: -61.308
Base-Backbone interact. energy: -0.298
local terms energy: -73.047797
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -12.627
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: 282
Temperature: 0.950000
Total energy: -180.510635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.510635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.510635 (E_RNA)
where:
Base-Base interactions energy: -111.312
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.002
local terms energy: -69.197079
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -14.909
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: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -185.274769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.274769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.274769 (E_RNA)
where:
Base-Base interactions energy: -115.015
where: short stacking energy: -63.476
Base-Backbone interact. energy: -0.134
local terms energy: -70.126063
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -181.745765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.745765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.745765 (E_RNA)
where:
Base-Base interactions energy: -111.288
where: short stacking energy: -58.573
Base-Backbone interact. energy: -1.523
local terms energy: -68.934956
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -16.087
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: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -157.927632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.927632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.927632 (E_RNA)
where:
Base-Base interactions energy: -102.083
where: short stacking energy: -49.272
Base-Backbone interact. energy: -0.103
local terms energy: -55.742042
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -8.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -148.950955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.950955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.950955 (E_RNA)
where:
Base-Base interactions energy: -87.399
where: short stacking energy: -54.975
Base-Backbone interact. energy: -0.104
local terms energy: -61.448167
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -5.317
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: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -137.449552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.449552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.449552 (E_RNA)
where:
Base-Base interactions energy: -85.024
where: short stacking energy: -33.984
Base-Backbone interact. energy: -0.267
local terms energy: -52.157931
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -74.782245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.782245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.782245 (E_RNA)
where:
Base-Base interactions energy: -16.842
where: short stacking energy: -15.912
Base-Backbone interact. energy: -1.196
local terms energy: -56.744468
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -76.223948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.223948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.223948 (E_RNA)
where:
Base-Base interactions energy: -24.743
where: short stacking energy: -23.839
Base-Backbone interact. energy: -0.179
local terms energy: -51.301935
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -4.051
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: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -79.084170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.084170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.084170 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -32.043
Base-Backbone interact. energy: -0.033
local terms energy: -43.242486
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -203.455598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.455598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.455598 (E_RNA)
where:
Base-Base interactions energy: -126.502
where: short stacking energy: -62.934
Base-Backbone interact. energy: -0.431
local terms energy: -76.522373
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -186.565268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.565268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.565268 (E_RNA)
where:
Base-Base interactions energy: -122.142
where: short stacking energy: -52.282
Base-Backbone interact. energy: -0.051
local terms energy: -64.372465
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -13.051
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: 283
Temperature: 1.000000
Total energy: -165.182618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.182618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.182618 (E_RNA)
where:
Base-Base interactions energy: -113.541
where: short stacking energy: -54.928
Base-Backbone interact. energy: -0.103
local terms energy: -51.538899
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -1.697
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: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -166.229552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.229552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.229552 (E_RNA)
where:
Base-Base interactions energy: -103.799
where: short stacking energy: -54.566
Base-Backbone interact. energy: -0.183
local terms energy: -62.246795
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -13.922
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: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -185.503105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.503105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.503105 (E_RNA)
where:
Base-Base interactions energy: -118.049
where: short stacking energy: -66.553
Base-Backbone interact. energy: -0.015
local terms energy: -67.439179
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -163.927447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.927447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.927447 (E_RNA)
where:
Base-Base interactions energy: -97.837
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.066
local terms energy: -66.024170
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -141.491464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.491464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.491464 (E_RNA)
where:
Base-Base interactions energy: -80.670
where: short stacking energy: -45.927
Base-Backbone interact. energy: -0.078
local terms energy: -60.743578
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -84.922045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.922045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.922045 (E_RNA)
where:
Base-Base interactions energy: -30.602
where: short stacking energy: -28.267
Base-Backbone interact. energy: -0.120
local terms energy: -54.199503
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -95.054819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.054819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.054819 (E_RNA)
where:
Base-Base interactions energy: -41.193
where: short stacking energy: -25.153
Base-Backbone interact. energy: -0.106
local terms energy: -53.755984
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -81.022110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.022110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.022110 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -24.254
Base-Backbone interact. energy: -0.715
local terms energy: -43.214000
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -203.275039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.275039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.275039 (E_RNA)
where:
Base-Base interactions energy: -132.707
where: short stacking energy: -64.035
Base-Backbone interact. energy: -0.040
local terms energy: -70.528502
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -211.241622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.241622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.241622 (E_RNA)
where:
Base-Base interactions energy: -143.198
where: short stacking energy: -59.921
Base-Backbone interact. energy: -0.067
local terms energy: -67.977395
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -190.472191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.472191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.472191 (E_RNA)
where:
Base-Base interactions energy: -117.143
where: short stacking energy: -65.102
Base-Backbone interact. energy: -0.041
local terms energy: -73.288247
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -156.677430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.677430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.677430 (E_RNA)
where:
Base-Base interactions energy: -99.580
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.552
local terms energy: -56.545367
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -8.884
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: 284
Temperature: 1.100000
Total energy: -158.508877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.508877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.508877 (E_RNA)
where:
Base-Base interactions energy: -86.040
where: short stacking energy: -45.183
Base-Backbone interact. energy: -0.017
local terms energy: -72.451739
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -13.420
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: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -146.585283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.585283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.585283 (E_RNA)
where:
Base-Base interactions energy: -84.210
where: short stacking energy: -50.575
Base-Backbone interact. energy: -0.130
local terms energy: -62.244697
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -151.319337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.319337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.319337 (E_RNA)
where:
Base-Base interactions energy: -95.057
where: short stacking energy: -52.467
Base-Backbone interact. energy: -0.419
local terms energy: -55.843181
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -92.788002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.788002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.788002 (E_RNA)
where:
Base-Base interactions energy: -35.942
where: short stacking energy: -35.942
Base-Backbone interact. energy: -0.015
local terms energy: -56.830896
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -81.728422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.728422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.728422 (E_RNA)
where:
Base-Base interactions energy: -34.790
where: short stacking energy: -32.797
Base-Backbone interact. energy: -0.485
local terms energy: -46.452472
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -77.659930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.659930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.659930 (E_RNA)
where:
Base-Base interactions energy: -26.430
where: short stacking energy: -26.430
Base-Backbone interact. energy: -0.053
local terms energy: -51.177022
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -199.844379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.844379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.844379 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -51.903
Base-Backbone interact. energy: -0.837
local terms energy: -65.627320
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -177.513927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.513927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.513927 (E_RNA)
where:
Base-Base interactions energy: -105.752
where: short stacking energy: -61.788
Base-Backbone interact. energy: 0.259
local terms energy: -72.021710
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -205.653863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.653863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.653863 (E_RNA)
where:
Base-Base interactions energy: -125.332
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.002
local terms energy: -80.320116
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -174.940655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.940655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.940655 (E_RNA)
where:
Base-Base interactions energy: -103.783
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.100
local terms energy: -71.057240
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -130.666564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.666564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.666564 (E_RNA)
where:
Base-Base interactions energy: -73.762
where: short stacking energy: -39.307
Base-Backbone interact. energy: -0.110
local terms energy: -56.794392
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -147.181112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.181112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.181112 (E_RNA)
where:
Base-Base interactions energy: -88.621
where: short stacking energy: -37.015
Base-Backbone interact. energy: -0.506
local terms energy: -58.054799
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -147.214074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.214074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.214074 (E_RNA)
where:
Base-Base interactions energy: -89.401
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.154
local terms energy: -57.658762
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -7.977
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: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -78.575327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.575327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.575327 (E_RNA)
where:
Base-Base interactions energy: -29.121
where: short stacking energy: -28.472
Base-Backbone interact. energy: -0.033
local terms energy: -49.421665
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -83.494787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.494787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.494787 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -27.130
Base-Backbone interact. energy: -0.041
local terms energy: -52.191294
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -78.534618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.534618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.534618 (E_RNA)
where:
Base-Base interactions energy: -26.864
where: short stacking energy: -20.386
Base-Backbone interact. energy: -0.052
local terms energy: -51.619230
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -204.576986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.576986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.576986 (E_RNA)
where:
Base-Base interactions energy: -130.264
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.043
local terms energy: -74.269755
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -178.480529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.480529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.480529 (E_RNA)
where:
Base-Base interactions energy: -105.198
where: short stacking energy: -58.914
Base-Backbone interact. energy: -0.012
local terms energy: -73.270650
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -9.322
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: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -205.763471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.763471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.763471 (E_RNA)
where:
Base-Base interactions energy: -133.156
where: short stacking energy: -64.195
Base-Backbone interact. energy: -0.614
local terms energy: -71.992861
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -166.428071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.428071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.428071 (E_RNA)
where:
Base-Base interactions energy: -100.952
where: short stacking energy: -63.320
Base-Backbone interact. energy: -0.025
local terms energy: -65.450627
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -15.331
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: 286
Temperature: 1.100000
Total energy: -165.224768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.224768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.224768 (E_RNA)
where:
Base-Base interactions energy: -103.293
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.175
local terms energy: -61.757267
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -11.138
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: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -105.139793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.139793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.139793 (E_RNA)
where:
Base-Base interactions energy: -51.469
where: short stacking energy: -24.367
Base-Backbone interact. energy: 0.881
local terms energy: -54.552082
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -0.494
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: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -145.573913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.573913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.573913 (E_RNA)
where:
Base-Base interactions energy: -93.118
where: short stacking energy: -42.133
Base-Backbone interact. energy: -0.239
local terms energy: -52.216554
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: 1.355
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -78.187991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.187991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.187991 (E_RNA)
where:
Base-Base interactions energy: -34.288
where: short stacking energy: -34.288
Base-Backbone interact. energy: -0.005
local terms energy: -43.894820
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -2.187
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: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -84.670141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.670141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.670141 (E_RNA)
where:
Base-Base interactions energy: -32.083
where: short stacking energy: -26.639
Base-Backbone interact. energy: 0.311
local terms energy: -52.897839
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -1.266
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: -72.588227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.588227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.588227 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -20.815
Base-Backbone interact. energy: 0.266
local terms energy: -40.345808
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: 4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -203.416329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.416329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.416329 (E_RNA)
where:
Base-Base interactions energy: -133.347
where: short stacking energy: -64.320
Base-Backbone interact. energy: -0.029
local terms energy: -70.041170
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -212.407100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.407100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.407100 (E_RNA)
where:
Base-Base interactions energy: -139.183
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.145
local terms energy: -73.078849
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -19.020
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: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -169.737308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.737308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.737308 (E_RNA)
where:
Base-Base interactions energy: -102.548
where: short stacking energy: -57.654
Base-Backbone interact. energy: 0.435
local terms energy: -67.624434
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -153.303619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.303619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.303619 (E_RNA)
where:
Base-Base interactions energy: -85.413
where: short stacking energy: -47.472
Base-Backbone interact. energy: -0.288
local terms energy: -67.602594
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -154.073585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.073585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.073585 (E_RNA)
where:
Base-Base interactions energy: -90.208
where: short stacking energy: -47.915
Base-Backbone interact. energy: -1.499
local terms energy: -62.366254
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -145.802406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.802406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.802406 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -43.613
Base-Backbone interact. energy: 0.392
local terms energy: -58.390972
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -8.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -113.241180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.241180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.241180 (E_RNA)
where:
Base-Base interactions energy: -62.178
where: short stacking energy: -30.667
Base-Backbone interact. energy: -0.250
local terms energy: -50.812840
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -84.818915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.818915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.818915 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -29.163
Base-Backbone interact. energy: 1.060
local terms energy: -52.776036
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -1.267
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: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -79.241308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.241308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.241308 (E_RNA)
where:
Base-Base interactions energy: -38.522
where: short stacking energy: -29.344
Base-Backbone interact. energy: 2.267
local terms energy: -42.985917
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -81.017112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.017112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.017112 (E_RNA)
where:
Base-Base interactions energy: -34.673
where: short stacking energy: -18.106
Base-Backbone interact. energy: -0.168
local terms energy: -46.175858
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -210.831448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.831448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.831448 (E_RNA)
where:
Base-Base interactions energy: -133.176
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.096
local terms energy: -77.558959
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -193.562806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.562806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.562806 (E_RNA)
where:
Base-Base interactions energy: -117.283
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.074
local terms energy: -76.205632
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -173.884036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.884036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.884036 (E_RNA)
where:
Base-Base interactions energy: -96.121
where: short stacking energy: -61.887
Base-Backbone interact. energy: -0.050
local terms energy: -77.713217
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -159.631927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.631927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.631927 (E_RNA)
where:
Base-Base interactions energy: -94.356
where: short stacking energy: -48.933
Base-Backbone interact. energy: -0.613
local terms energy: -64.663352
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -172.492693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.492693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.492693 (E_RNA)
where:
Base-Base interactions energy: -106.921
where: short stacking energy: -53.401
Base-Backbone interact. energy: -0.484
local terms energy: -65.087644
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -143.502666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.502666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.502666 (E_RNA)
where:
Base-Base interactions energy: -86.470
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.034
local terms energy: -56.998209
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -7.877
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: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -94.629878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.629878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.629878 (E_RNA)
where:
Base-Base interactions energy: -40.052
where: short stacking energy: -38.379
Base-Backbone interact. energy: -0.059
local terms energy: -54.518895
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.730
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: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -82.264770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.264770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.264770 (E_RNA)
where:
Base-Base interactions energy: -27.974
where: short stacking energy: -27.974
Base-Backbone interact. energy: -0.010
local terms energy: -54.280578
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -85.077131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.077131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.077131 (E_RNA)
where:
Base-Base interactions energy: -39.493
where: short stacking energy: -36.947
Base-Backbone interact. energy: -0.109
local terms energy: -45.475950
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -7.173
flat angles P-C4'-P energy: -6.120
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: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -81.006416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.006416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.006416 (E_RNA)
where:
Base-Base interactions energy: -25.822
where: short stacking energy: -25.822
Base-Backbone interact. energy: -0.129
local terms energy: -55.054689
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -205.932786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.932786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.932786 (E_RNA)
where:
Base-Base interactions energy: -130.673
where: short stacking energy: -72.543
Base-Backbone interact. energy: -0.001
local terms energy: -75.259261
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -193.308208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.308208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.308208 (E_RNA)
where:
Base-Base interactions energy: -122.121
where: short stacking energy: -63.987
Base-Backbone interact. energy: -0.242
local terms energy: -70.944968
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -196.778689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.778689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.778689 (E_RNA)
where:
Base-Base interactions energy: -130.632
where: short stacking energy: -71.672
Base-Backbone interact. energy: -0.114
local terms energy: -66.033373
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -20.178
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: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -159.567635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.567635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.567635 (E_RNA)
where:
Base-Base interactions energy: -94.517
where: short stacking energy: -51.426
Base-Backbone interact. energy: -0.051
local terms energy: -64.999719
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -157.739226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.739226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.739226 (E_RNA)
where:
Base-Base interactions energy: -95.566
where: short stacking energy: -48.172
Base-Backbone interact. energy: -0.007
local terms energy: -62.166658
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -8.902
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: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -140.665035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.665035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.665035 (E_RNA)
where:
Base-Base interactions energy: -80.095
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.484
local terms energy: -60.086219
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -91.087050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.087050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.087050 (E_RNA)
where:
Base-Base interactions energy: -42.847
where: short stacking energy: -40.910
Base-Backbone interact. energy: -0.064
local terms energy: -48.176240
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -91.221258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.221258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.221258 (E_RNA)
where:
Base-Base interactions energy: -29.336
where: short stacking energy: -29.336
Base-Backbone interact. energy: -0.300
local terms energy: -61.585000
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -82.259673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.259673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.259673 (E_RNA)
where:
Base-Base interactions energy: -25.032
where: short stacking energy: -25.032
Base-Backbone interact. energy: -0.166
local terms energy: -57.060878
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -77.827254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.827254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.827254 (E_RNA)
where:
Base-Base interactions energy: -31.964
where: short stacking energy: -20.597
Base-Backbone interact. energy: -0.578
local terms energy: -45.285297
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: 6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -214.679289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.679289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.679289 (E_RNA)
where:
Base-Base interactions energy: -135.332
where: short stacking energy: -64.407
Base-Backbone interact. energy: -0.826
local terms energy: -78.520603
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -196.570588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.570588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.570588 (E_RNA)
where:
Base-Base interactions energy: -120.337
where: short stacking energy: -72.892
Base-Backbone interact. energy: -0.004
local terms energy: -76.229651
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -183.466606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.466606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.466606 (E_RNA)
where:
Base-Base interactions energy: -115.741
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.095
local terms energy: -67.630377
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -170.977211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.977211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.977211 (E_RNA)
where:
Base-Base interactions energy: -111.851
where: short stacking energy: -56.973
Base-Backbone interact. energy: -0.464
local terms energy: -58.661921
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -154.652726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.652726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.652726 (E_RNA)
where:
Base-Base interactions energy: -96.796
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.009
local terms energy: -57.847734
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -127.089738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.089738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.089738 (E_RNA)
where:
Base-Base interactions energy: -79.011
where: short stacking energy: -52.774
Base-Backbone interact. energy: -0.047
local terms energy: -48.031578
where:
bonds (distance) C4'-P energy: -6.515
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -92.932946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.932946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.932946 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -31.088
Base-Backbone interact. energy: 0.308
local terms energy: -55.369988
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -87.214796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.214796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.214796 (E_RNA)
where:
Base-Base interactions energy: -34.006
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.011
local terms energy: -53.198161
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -6.720
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: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -82.165279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.165279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.165279 (E_RNA)
where:
Base-Base interactions energy: -30.737
where: short stacking energy: -23.416
Base-Backbone interact. energy: -0.398
local terms energy: -51.030445
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -87.050953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.050953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.050953 (E_RNA)
where:
Base-Base interactions energy: -36.267
where: short stacking energy: -35.802
Base-Backbone interact. energy: -0.030
local terms energy: -50.754888
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -5.310
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: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -212.910828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.910828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.910828 (E_RNA)
where:
Base-Base interactions energy: -131.364
where: short stacking energy: -64.605
Base-Backbone interact. energy: -0.788
local terms energy: -80.758636
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -201.482247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.482247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.482247 (E_RNA)
where:
Base-Base interactions energy: -126.334
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.020
local terms energy: -75.127751
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -17.545
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: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -172.022912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.022912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.022912 (E_RNA)
where:
Base-Base interactions energy: -109.134
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.147
local terms energy: -62.741207
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -10.205
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: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -163.872342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.872342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.872342 (E_RNA)
where:
Base-Base interactions energy: -104.184
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.490
local terms energy: -59.198602
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -190.151991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.151991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.151991 (E_RNA)
where:
Base-Base interactions energy: -122.360
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.025
local terms energy: -67.766800
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -106.561312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.561312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.561312 (E_RNA)
where:
Base-Base interactions energy: -50.672
where: short stacking energy: -35.637
Base-Backbone interact. energy: 0.557
local terms energy: -56.446680
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -6.647
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: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -87.366365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.366365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.366365 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -30.087
Base-Backbone interact. energy: -0.030
local terms energy: -56.595128
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -91.599418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.599418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.599418 (E_RNA)
where:
Base-Base interactions energy: -37.660
where: short stacking energy: -37.660
Base-Backbone interact. energy: -0.063
local terms energy: -53.876784
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -97.085898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.085898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.085898 (E_RNA)
where:
Base-Base interactions energy: -42.150
where: short stacking energy: -35.977
Base-Backbone interact. energy: 0.918
local terms energy: -55.854195
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -78.918672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.918672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.918672 (E_RNA)
where:
Base-Base interactions energy: -21.598
where: short stacking energy: -17.870
Base-Backbone interact. energy: -0.245
local terms energy: -57.075691
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -208.502023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.502023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.502023 (E_RNA)
where:
Base-Base interactions energy: -128.474
where: short stacking energy: -70.404
Base-Backbone interact. energy: -2.058
local terms energy: -77.970254
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -22.154
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: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -198.797057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.797057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.797057 (E_RNA)
where:
Base-Base interactions energy: -120.223
where: short stacking energy: -71.332
Base-Backbone interact. energy: -0.307
local terms energy: -78.266616
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -8.627
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: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -195.289429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.289429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.289429 (E_RNA)
where:
Base-Base interactions energy: -120.267
where: short stacking energy: -66.461
Base-Backbone interact. energy: -0.068
local terms energy: -74.954259
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -172.512104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.512104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.512104 (E_RNA)
where:
Base-Base interactions energy: -110.918
where: short stacking energy: -49.651
Base-Backbone interact. energy: -0.983
local terms energy: -60.611096
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -10.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -166.190059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.190059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.190059 (E_RNA)
where:
Base-Base interactions energy: -93.513
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.009
local terms energy: -72.667272
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -11.524
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: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -135.674045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.674045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.674045 (E_RNA)
where:
Base-Base interactions energy: -82.987
where: short stacking energy: -43.816
Base-Backbone interact. energy: -0.493
local terms energy: -52.193596
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -98.848823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.848823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.848823 (E_RNA)
where:
Base-Base interactions energy: -43.370
where: short stacking energy: -43.370
Base-Backbone interact. energy: -0.029
local terms energy: -55.450411
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -88.762118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762118 (E_RNA)
where:
Base-Base interactions energy: -35.349
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.001
local terms energy: -53.412151
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -74.882927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.882927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.882927 (E_RNA)
where:
Base-Base interactions energy: -25.785
where: short stacking energy: -19.385
Base-Backbone interact. energy: -0.677
local terms energy: -48.421756
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -91.397482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.397482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.397482 (E_RNA)
where:
Base-Base interactions energy: -44.601
where: short stacking energy: -34.058
Base-Backbone interact. energy: 0.729
local terms energy: -47.525822
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -211.243828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.243828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.243828 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.041
local terms energy: -82.174807
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -191.507764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.507764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.507764 (E_RNA)
where:
Base-Base interactions energy: -122.114
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.375
local terms energy: -69.018682
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -182.174491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.174491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.174491 (E_RNA)
where:
Base-Base interactions energy: -110.074
where: short stacking energy: -60.782
Base-Backbone interact. energy: 0.337
local terms energy: -72.437617
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -170.912910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.912910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.912910 (E_RNA)
where:
Base-Base interactions energy: -103.027
where: short stacking energy: -56.917
Base-Backbone interact. energy: 0.314
local terms energy: -68.200552
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -173.550717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.550717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.550717 (E_RNA)
where:
Base-Base interactions energy: -107.021
where: short stacking energy: -49.655
Base-Backbone interact. energy: -0.778
local terms energy: -65.751783
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -145.732102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.732102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.732102 (E_RNA)
where:
Base-Base interactions energy: -83.362
where: short stacking energy: -39.636
Base-Backbone interact. energy: -0.343
local terms energy: -62.027563
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -95.251270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.251270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.251270 (E_RNA)
where:
Base-Base interactions energy: -42.897
where: short stacking energy: -37.577
Base-Backbone interact. energy: -0.178
local terms energy: -52.176462
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -2.728
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: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -89.455477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.455477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.455477 (E_RNA)
where:
Base-Base interactions energy: -40.929
where: short stacking energy: -21.987
Base-Backbone interact. energy: -0.498
local terms energy: -48.028595
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -79.184722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.184722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.184722 (E_RNA)
where:
Base-Base interactions energy: -24.387
where: short stacking energy: -24.387
Base-Backbone interact. energy: -0.619
local terms energy: -54.178196
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -12.877
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: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -76.549336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.549336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.549336 (E_RNA)
where:
Base-Base interactions energy: -27.029
where: short stacking energy: -27.029
Base-Backbone interact. energy: -0.391
local terms energy: -49.129100
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -0.514
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: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -212.100123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.100123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.100123 (E_RNA)
where:
Base-Base interactions energy: -136.090
where: short stacking energy: -68.625
Base-Backbone interact. energy: -1.727
local terms energy: -74.283437
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -192.863549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.863549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.863549 (E_RNA)
where:
Base-Base interactions energy: -118.093
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.375
local terms energy: -74.395859
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -18.677
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: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -192.286106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.286106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.286106 (E_RNA)
where:
Base-Base interactions energy: -110.866
where: short stacking energy: -63.996
Base-Backbone interact. energy: -2.463
local terms energy: -78.956339
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -184.075107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.075107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.075107 (E_RNA)
where:
Base-Base interactions energy: -116.386
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.098
local terms energy: -67.591141
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -15.574
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: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -182.665187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.665187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.665187 (E_RNA)
where:
Base-Base interactions energy: -117.263
where: short stacking energy: -61.961
Base-Backbone interact. energy: -0.009
local terms energy: -65.393422
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -154.444934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.444934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.444934 (E_RNA)
where:
Base-Base interactions energy: -90.490
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.161
local terms energy: -63.793451
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -88.834921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.834921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.834921 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -31.245
Base-Backbone interact. energy: -0.244
local terms energy: -55.958778
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -80.883691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.883691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.883691 (E_RNA)
where:
Base-Base interactions energy: -37.783
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.093
local terms energy: -43.008195
where:
bonds (distance) C4'-P energy: -6.780
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -87.600838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600838 (E_RNA)
where:
Base-Base interactions energy: -35.378
where: short stacking energy: -30.009
Base-Backbone interact. energy: -0.091
local terms energy: -52.131709
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -0.947
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: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -76.994830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.994830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.994830 (E_RNA)
where:
Base-Base interactions energy: -33.237
where: short stacking energy: -29.758
Base-Backbone interact. energy: -0.035
local terms energy: -43.722996
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -212.846839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.846839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.846839 (E_RNA)
where:
Base-Base interactions energy: -131.701
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.017
local terms energy: -81.129499
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -199.161533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.161533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.161533 (E_RNA)
where:
Base-Base interactions energy: -122.349
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.726
local terms energy: -76.086437
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -19.219
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: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -193.036146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.036146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.036146 (E_RNA)
where:
Base-Base interactions energy: -120.560
where: short stacking energy: -62.114
Base-Backbone interact. energy: -0.058
local terms energy: -72.417563
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -10.421
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: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -181.913540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.913540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.913540 (E_RNA)
where:
Base-Base interactions energy: -120.157
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.101
local terms energy: -61.654951
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -186.311013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.311013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.311013 (E_RNA)
where:
Base-Base interactions energy: -124.873
where: short stacking energy: -55.704
Base-Backbone interact. energy: -0.643
local terms energy: -60.794657
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -103.647603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.647603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.647603 (E_RNA)
where:
Base-Base interactions energy: -45.232
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.397
local terms energy: -58.018678
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -2.454
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: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -118.055138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.055138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.055138 (E_RNA)
where:
Base-Base interactions energy: -62.020
where: short stacking energy: -34.232
Base-Backbone interact. energy: -0.289
local terms energy: -55.745833
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -95.527911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.527911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.527911 (E_RNA)
where:
Base-Base interactions energy: -30.573
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.000
local terms energy: -64.954492
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -83.831391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.831391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.831391 (E_RNA)
where:
Base-Base interactions energy: -35.863
where: short stacking energy: -27.690
Base-Backbone interact. energy: -0.242
local terms energy: -47.726073
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -78.411231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.411231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.411231 (E_RNA)
where:
Base-Base interactions energy: -30.830
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.093
local terms energy: -47.488238
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -204.323036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.323036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.323036 (E_RNA)
where:
Base-Base interactions energy: -128.949
where: short stacking energy: -66.906
Base-Backbone interact. energy: -0.003
local terms energy: -75.370582
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -174.555875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.555875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.555875 (E_RNA)
where:
Base-Base interactions energy: -104.971
where: short stacking energy: -46.488
Base-Backbone interact. energy: -0.354
local terms energy: -69.230563
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -195.157319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.157319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.157319 (E_RNA)
where:
Base-Base interactions energy: -125.337
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.961
local terms energy: -68.859690
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -175.911391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.911391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.911391 (E_RNA)
where:
Base-Base interactions energy: -109.371
where: short stacking energy: -53.844
Base-Backbone interact. energy: -0.166
local terms energy: -66.374486
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -12.018
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: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -177.026974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.026974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.026974 (E_RNA)
where:
Base-Base interactions energy: -114.477
where: short stacking energy: -38.475
Base-Backbone interact. energy: -0.508
local terms energy: -62.042682
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -116.564533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.564533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.564533 (E_RNA)
where:
Base-Base interactions energy: -57.185
where: short stacking energy: -41.573
Base-Backbone interact. energy: -0.091
local terms energy: -59.288692
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -91.049248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.049248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.049248 (E_RNA)
where:
Base-Base interactions energy: -38.231
where: short stacking energy: -35.716
Base-Backbone interact. energy: 0.699
local terms energy: -53.516684
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -9.355
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: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -97.600393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600393 (E_RNA)
where:
Base-Base interactions energy: -40.030
where: short stacking energy: -34.284
Base-Backbone interact. energy: 0.327
local terms energy: -57.897305
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -7.416
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: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -74.320427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.320427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.320427 (E_RNA)
where:
Base-Base interactions energy: -24.532
where: short stacking energy: -20.498
Base-Backbone interact. energy: -0.048
local terms energy: -49.740476
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -74.286422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.286422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.286422 (E_RNA)
where:
Base-Base interactions energy: -24.420
where: short stacking energy: -22.799
Base-Backbone interact. energy: 2.138
local terms energy: -52.005059
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -210.914194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.914194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.914194 (E_RNA)
where:
Base-Base interactions energy: -133.442
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.001
local terms energy: -77.471065
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -13.408
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: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -204.392721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.392721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.392721 (E_RNA)
where:
Base-Base interactions energy: -132.972
where: short stacking energy: -74.358
Base-Backbone interact. energy: 0.542
local terms energy: -71.962742
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -181.800972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.800972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.800972 (E_RNA)
where:
Base-Base interactions energy: -113.220
where: short stacking energy: -50.926
Base-Backbone interact. energy: -1.107
local terms energy: -67.474138
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -177.531069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.531069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.531069 (E_RNA)
where:
Base-Base interactions energy: -112.706
where: short stacking energy: -58.830
Base-Backbone interact. energy: -0.001
local terms energy: -64.824705
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -163.285276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.285276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.285276 (E_RNA)
where:
Base-Base interactions energy: -96.890
where: short stacking energy: -46.744
Base-Backbone interact. energy: -0.000
local terms energy: -66.394745
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -8.524
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: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -113.310166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.310166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.310166 (E_RNA)
where:
Base-Base interactions energy: -52.401
where: short stacking energy: -34.481
Base-Backbone interact. energy: -1.034
local terms energy: -59.875186
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -101.700974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.700974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.700974 (E_RNA)
where:
Base-Base interactions energy: -44.486
where: short stacking energy: -23.885
Base-Backbone interact. energy: -0.130
local terms energy: -57.084770
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -95.271183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.271183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.271183 (E_RNA)
where:
Base-Base interactions energy: -38.617
where: short stacking energy: -33.319
Base-Backbone interact. energy: 2.263
local terms energy: -58.917234
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -3.256
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: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -84.906420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.906420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.906420 (E_RNA)
where:
Base-Base interactions energy: -31.036
where: short stacking energy: -27.691
Base-Backbone interact. energy: -0.150
local terms energy: -53.720575
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -88.682789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.682789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.682789 (E_RNA)
where:
Base-Base interactions energy: -40.457
where: short stacking energy: -27.888
Base-Backbone interact. energy: -1.379
local terms energy: -46.846819
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -212.990241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.990241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.990241 (E_RNA)
where:
Base-Base interactions energy: -132.281
where: short stacking energy: -79.301
Base-Backbone interact. energy: -1.976
local terms energy: -78.732792
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -207.958079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.958079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.958079 (E_RNA)
where:
Base-Base interactions energy: -133.134
where: short stacking energy: -70.500
Base-Backbone interact. energy: -0.001
local terms energy: -74.823017
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -181.834555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.834555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.834555 (E_RNA)
where:
Base-Base interactions energy: -108.205
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.078
local terms energy: -73.552121
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -183.620395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.620395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.620395 (E_RNA)
where:
Base-Base interactions energy: -122.036
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.120
local terms energy: -61.464512
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -13.346
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: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -158.154121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.154121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.154121 (E_RNA)
where:
Base-Base interactions energy: -94.838
where: short stacking energy: -56.531
Base-Backbone interact. energy: -0.075
local terms energy: -63.241607
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -6.843
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -107.591385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.591385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.591385 (E_RNA)
where:
Base-Base interactions energy: -45.604
where: short stacking energy: -41.437
Base-Backbone interact. energy: -0.088
local terms energy: -61.898853
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -96.662167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.662167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.662167 (E_RNA)
where:
Base-Base interactions energy: -53.669
where: short stacking energy: -32.473
Base-Backbone interact. energy: -0.137
local terms energy: -42.856022
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: 2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -91.718405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.718405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.718405 (E_RNA)
where:
Base-Base interactions energy: -37.106
where: short stacking energy: -37.106
Base-Backbone interact. energy: -0.008
local terms energy: -54.604930
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -94.590360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.590360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.590360 (E_RNA)
where:
Base-Base interactions energy: -48.904
where: short stacking energy: -45.345
Base-Backbone interact. energy: -0.269
local terms energy: -45.417387
where:
bonds (distance) C4'-P energy: -4.166
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -80.428916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.428916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.428916 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.044
local terms energy: -46.638718
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: 0.173
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: 299
Temperature: 0.900000
Total energy: -213.498473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.498473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.498473 (E_RNA)
where:
Base-Base interactions energy: -129.548
where: short stacking energy: -76.116
Base-Backbone interact. energy: -2.707
local terms energy: -81.243490
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -23.091
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: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -211.238024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.238024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.238024 (E_RNA)
where:
Base-Base interactions energy: -131.355
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.038
local terms energy: -79.844994
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -170.381088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.381088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.381088 (E_RNA)
where:
Base-Base interactions energy: -103.195
where: short stacking energy: -52.253
Base-Backbone interact. energy: -0.603
local terms energy: -66.583488
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -11.928
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: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -161.198354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.198354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.198354 (E_RNA)
where:
Base-Base interactions energy: -98.299
where: short stacking energy: -56.314
Base-Backbone interact. energy: -0.026
local terms energy: -62.874054
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -158.628037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.628037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.628037 (E_RNA)
where:
Base-Base interactions energy: -91.311
where: short stacking energy: -51.914
Base-Backbone interact. energy: -0.004
local terms energy: -67.313593
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -15.283
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: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -100.049625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.049625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.049625 (E_RNA)
where:
Base-Base interactions energy: -43.604
where: short stacking energy: -31.252
Base-Backbone interact. energy: -1.314
local terms energy: -55.130806
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -7.648
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -9.885
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -103.392999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.392999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.392999 (E_RNA)
where:
Base-Base interactions energy: -48.501
where: short stacking energy: -38.649
Base-Backbone interact. energy: -0.162
local terms energy: -54.729365
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -10.292
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: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -92.670535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.670535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.670535 (E_RNA)
where:
Base-Base interactions energy: -44.184
where: short stacking energy: -31.591
Base-Backbone interact. energy: -0.250
local terms energy: -48.236549
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -9.136
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -4.209
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: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -92.554458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.554458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.554458 (E_RNA)
where:
Base-Base interactions energy: -40.751
where: short stacking energy: -35.759
Base-Backbone interact. energy: -0.847
local terms energy: -50.956020
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -72.991582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.991582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.991582 (E_RNA)
where:
Base-Base interactions energy: -24.487
where: short stacking energy: -19.699
Base-Backbone interact. energy: -0.154
local terms energy: -48.350746
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -1.284
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: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -208.219731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.219731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.219731 (E_RNA)
where:
Base-Base interactions energy: -133.434
where: short stacking energy: -62.907
Base-Backbone interact. energy: -0.228
local terms energy: -74.557589
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -183.975515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.975515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.975515 (E_RNA)
where:
Base-Base interactions energy: -112.614
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.021
local terms energy: -71.340743
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -15.791
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: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -171.109218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.109218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.109218 (E_RNA)
where:
Base-Base interactions energy: -101.176
where: short stacking energy: -47.721
Base-Backbone interact. energy: -0.145
local terms energy: -69.787522
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -174.574392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.574392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.574392 (E_RNA)
where:
Base-Base interactions energy: -106.124
where: short stacking energy: -56.961
Base-Backbone interact. energy: -0.001
local terms energy: -68.449750
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -123.238006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.238006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.238006 (E_RNA)
where:
Base-Base interactions energy: -66.829
where: short stacking energy: -49.314
Base-Backbone interact. energy: -0.168
local terms energy: -56.240518
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -148.457778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.457778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.457778 (E_RNA)
where:
Base-Base interactions energy: -82.717
where: short stacking energy: -51.450
Base-Backbone interact. energy: -0.007
local terms energy: -65.732942
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -6.720
flat angles P-C4'-P energy: -11.296
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: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -93.996409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.996409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.996409 (E_RNA)
where:
Base-Base interactions energy: -42.324
where: short stacking energy: -35.754
Base-Backbone interact. energy: -0.085
local terms energy: -51.587195
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -96.518445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.518445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.518445 (E_RNA)
where:
Base-Base interactions energy: -50.034
where: short stacking energy: -37.664
Base-Backbone interact. energy: -1.110
local terms energy: -45.374088
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -8.800
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -81.841227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.841227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.841227 (E_RNA)
where:
Base-Base interactions energy: -33.806
where: short stacking energy: -28.552
Base-Backbone interact. energy: -0.081
local terms energy: -47.954537
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -78.266700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.266700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.266700 (E_RNA)
where:
Base-Base interactions energy: -33.284
where: short stacking energy: -22.187
Base-Backbone interact. energy: -0.160
local terms energy: -44.822700
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -204.264332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.264332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.264332 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -65.007
Base-Backbone interact. energy: -0.101
local terms energy: -74.529887
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -175.161706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.161706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.161706 (E_RNA)
where:
Base-Base interactions energy: -108.450
where: short stacking energy: -58.637
Base-Backbone interact. energy: -0.157
local terms energy: -66.555209
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -179.895524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.895524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.895524 (E_RNA)
where:
Base-Base interactions energy: -112.528
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.494
local terms energy: -66.873883
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -149.439902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.439902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.439902 (E_RNA)
where:
Base-Base interactions energy: -86.891
where: short stacking energy: -53.403
Base-Backbone interact. energy: -0.827
local terms energy: -61.721994
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -12.582
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: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -148.269985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.269985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.269985 (E_RNA)
where:
Base-Base interactions energy: -89.741
where: short stacking energy: -45.599
Base-Backbone interact. energy: -0.038
local terms energy: -58.490715
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -97.403937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.403937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.403937 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -38.368
Base-Backbone interact. energy: -0.090
local terms energy: -58.288904
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -144.543157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.543157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.543157 (E_RNA)
where:
Base-Base interactions energy: -90.738
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.006
local terms energy: -53.798687
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -97.990584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.990584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.990584 (E_RNA)
where:
Base-Base interactions energy: -45.516
where: short stacking energy: -33.854
Base-Backbone interact. energy: -0.319
local terms energy: -52.155369
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -0.462
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: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -77.944081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.944081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.944081 (E_RNA)
where:
Base-Base interactions energy: -29.821
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.580
local terms energy: -47.543417
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -83.403152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.403152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.403152 (E_RNA)
where:
Base-Base interactions energy: -42.867
where: short stacking energy: -42.867
Base-Backbone interact. energy: -0.003
local terms energy: -40.533167
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -200.285361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.285361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.285361 (E_RNA)
where:
Base-Base interactions energy: -127.808
where: short stacking energy: -71.945
Base-Backbone interact. energy: -0.899
local terms energy: -71.578526
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.889
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: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -189.081106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.081106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.081106 (E_RNA)
where:
Base-Base interactions energy: -115.556
where: short stacking energy: -59.332
Base-Backbone interact. energy: -0.045
local terms energy: -73.479926
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -10.733
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: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -177.347698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.347698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.347698 (E_RNA)
where:
Base-Base interactions energy: -101.576
where: short stacking energy: -66.669
Base-Backbone interact. energy: -0.017
local terms energy: -75.754634
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -131.589863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.589863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.589863 (E_RNA)
where:
Base-Base interactions energy: -76.196
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.406
local terms energy: -54.988546
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -7.456
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: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -134.030635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.030635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.030635 (E_RNA)
where:
Base-Base interactions energy: -70.154
where: short stacking energy: -36.164
Base-Backbone interact. energy: -0.545
local terms energy: -63.331415
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -102.532008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.532008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.532008 (E_RNA)
where:
Base-Base interactions energy: -46.709
where: short stacking energy: -36.365
Base-Backbone interact. energy: -0.117
local terms energy: -55.706414
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -141.496130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.496130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.496130 (E_RNA)
where:
Base-Base interactions energy: -76.260
where: short stacking energy: -41.668
Base-Backbone interact. energy: -0.061
local terms energy: -65.174918
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -10.529
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: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -95.707003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.707003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.707003 (E_RNA)
where:
Base-Base interactions energy: -37.098
where: short stacking energy: -37.098
Base-Backbone interact. energy: -0.008
local terms energy: -58.601564
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -80.285263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.285263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.285263 (E_RNA)
where:
Base-Base interactions energy: -24.925
where: short stacking energy: -24.925
Base-Backbone interact. energy: -0.063
local terms energy: -55.297690
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: 2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -82.573307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.573307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.573307 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.549
local terms energy: -47.598273
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -211.598294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.598294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.598294 (E_RNA)
where:
Base-Base interactions energy: -135.109
where: short stacking energy: -64.007
Base-Backbone interact. energy: -1.286
local terms energy: -75.203962
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -211.459824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.459824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.459824 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -75.929
Base-Backbone interact. energy: -2.901
local terms energy: -81.410852
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -11.597
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: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -189.958331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.958331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.958331 (E_RNA)
where:
Base-Base interactions energy: -117.800
where: short stacking energy: -66.805
Base-Backbone interact. energy: 0.156
local terms energy: -72.313935
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -162.444340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.444340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.444340 (E_RNA)
where:
Base-Base interactions energy: -103.223
where: short stacking energy: -51.199
Base-Backbone interact. energy: 0.424
local terms energy: -59.645823
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -126.400248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.400248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.400248 (E_RNA)
where:
Base-Base interactions energy: -62.398
where: short stacking energy: -43.228
Base-Backbone interact. energy: -0.398
local terms energy: -63.604011
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -157.163053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.163053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.163053 (E_RNA)
where:
Base-Base interactions energy: -93.154
where: short stacking energy: -59.141
Base-Backbone interact. energy: -0.995
local terms energy: -63.013741
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -5.729
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: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -88.123914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.123914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.123914 (E_RNA)
where:
Base-Base interactions energy: -32.608
where: short stacking energy: -32.608
Base-Backbone interact. energy: -0.702
local terms energy: -54.814044
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -79.894210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.894210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.894210 (E_RNA)
where:
Base-Base interactions energy: -27.453
where: short stacking energy: -26.155
Base-Backbone interact. energy: 0.327
local terms energy: -52.767592
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: 1.868
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: 303
Temperature: 1.300000
Total energy: -79.565756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.565756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.565756 (E_RNA)
where:
Base-Base interactions energy: -27.280
where: short stacking energy: -26.424
Base-Backbone interact. energy: -0.659
local terms energy: -51.626269
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -86.298487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.298487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.298487 (E_RNA)
where:
Base-Base interactions energy: -33.237
where: short stacking energy: -33.237
Base-Backbone interact. energy: -0.035
local terms energy: -53.026887
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -7.470
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: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -205.600859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.600859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.600859 (E_RNA)
where:
Base-Base interactions energy: -135.040
where: short stacking energy: -76.364
Base-Backbone interact. energy: -0.353
local terms energy: -70.207830
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -7.707
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: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -219.024552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.024552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.024552 (E_RNA)
where:
Base-Base interactions energy: -141.587
where: short stacking energy: -79.393
Base-Backbone interact. energy: -0.000
local terms energy: -77.437195
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -184.631056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.631056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.631056 (E_RNA)
where:
Base-Base interactions energy: -111.630
where: short stacking energy: -66.533
Base-Backbone interact. energy: -0.010
local terms energy: -72.991380
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -150.508898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.508898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.508898 (E_RNA)
where:
Base-Base interactions energy: -101.806
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.302
local terms energy: -48.400510
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -171.948339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.948339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.948339 (E_RNA)
where:
Base-Base interactions energy: -101.081
where: short stacking energy: -54.938
Base-Backbone interact. energy: -0.119
local terms energy: -70.748843
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -104.388224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.388224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.388224 (E_RNA)
where:
Base-Base interactions energy: -52.575
where: short stacking energy: -32.971
Base-Backbone interact. energy: -0.649
local terms energy: -51.163680
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -91.905966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.905966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.905966 (E_RNA)
where:
Base-Base interactions energy: -43.905
where: short stacking energy: -42.744
Base-Backbone interact. energy: 0.741
local terms energy: -48.742132
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -87.732394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732394 (E_RNA)
where:
Base-Base interactions energy: -42.204
where: short stacking energy: -20.560
Base-Backbone interact. energy: -0.337
local terms energy: -45.191382
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -78.812125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.812125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.812125 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -26.977
Base-Backbone interact. energy: 3.823
local terms energy: -47.590423
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -74.544361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.544361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.544361 (E_RNA)
where:
Base-Base interactions energy: -21.800
where: short stacking energy: -21.800
Base-Backbone interact. energy: -0.060
local terms energy: -52.684314
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -206.425049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.425049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.425049 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -68.204
Base-Backbone interact. energy: -0.001
local terms energy: -75.451753
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -200.061066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.061066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.061066 (E_RNA)
where:
Base-Base interactions energy: -124.704
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.414
local terms energy: -74.942287
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -156.653367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.653367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.653367 (E_RNA)
where:
Base-Base interactions energy: -88.971
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.169
local terms energy: -67.513595
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -184.624918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.624918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.624918 (E_RNA)
where:
Base-Base interactions energy: -124.253
where: short stacking energy: -46.592
Base-Backbone interact. energy: -1.030
local terms energy: -59.342004
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -9.157
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: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -135.722325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.722325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.722325 (E_RNA)
where:
Base-Base interactions energy: -81.394
where: short stacking energy: -45.456
Base-Backbone interact. energy: -0.081
local terms energy: -54.247656
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -93.772612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.772612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.772612 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.099
local terms energy: -57.139888
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -91.241456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.241456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.241456 (E_RNA)
where:
Base-Base interactions energy: -34.118
where: short stacking energy: -29.799
Base-Backbone interact. energy: -0.063
local terms energy: -57.060086
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -82.702473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.702473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.702473 (E_RNA)
where:
Base-Base interactions energy: -25.849
where: short stacking energy: -20.432
Base-Backbone interact. energy: -0.804
local terms energy: -56.048621
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -85.251326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.251326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.251326 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.140
local terms energy: -50.062980
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -85.386211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.386211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.386211 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -31.569
Base-Backbone interact. energy: -0.151
local terms energy: -54.381306
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -213.458126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.458126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.458126 (E_RNA)
where:
Base-Base interactions energy: -142.566
where: short stacking energy: -59.219
Base-Backbone interact. energy: -0.079
local terms energy: -70.813498
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -9.644
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: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -199.921790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.921790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.921790 (E_RNA)
where:
Base-Base interactions energy: -122.350
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.002
local terms energy: -77.569777
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -197.308718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.308718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.308718 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.030
local terms energy: -70.459639
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -156.271570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.271570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.271570 (E_RNA)
where:
Base-Base interactions energy: -99.297
where: short stacking energy: -53.167
Base-Backbone interact. energy: -1.131
local terms energy: -55.843125
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -9.333
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: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -179.114455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.114455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.114455 (E_RNA)
where:
Base-Base interactions energy: -110.514
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.007
local terms energy: -68.593424
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -8.343
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: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -133.440590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.440590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.440590 (E_RNA)
where:
Base-Base interactions energy: -65.250
where: short stacking energy: -35.398
Base-Backbone interact. energy: -1.331
local terms energy: -66.859560
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -95.846423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.846423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.846423 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.270
local terms energy: -53.143232
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -85.070052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.070052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.070052 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.184
local terms energy: -47.265402
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -1.047
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: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -85.150705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.150705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.150705 (E_RNA)
where:
Base-Base interactions energy: -37.005
where: short stacking energy: -32.047
Base-Backbone interact. energy: -0.233
local terms energy: -47.912512
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -76.788880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.788880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.788880 (E_RNA)
where:
Base-Base interactions energy: -25.854
where: short stacking energy: -25.854
Base-Backbone interact. energy: -0.177
local terms energy: -50.757171
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -4.617
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: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -208.023450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.023450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.023450 (E_RNA)
where:
Base-Base interactions energy: -136.235
where: short stacking energy: -55.166
Base-Backbone interact. energy: -0.148
local terms energy: -71.640989
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -202.503927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.503927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.503927 (E_RNA)
where:
Base-Base interactions energy: -126.877
where: short stacking energy: -67.107
Base-Backbone interact. energy: -1.866
local terms energy: -73.761493
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -200.238148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.238148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.238148 (E_RNA)
where:
Base-Base interactions energy: -132.610
where: short stacking energy: -65.448
Base-Backbone interact. energy: -0.051
local terms energy: -67.577883
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -18.756
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -171.036642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.036642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.036642 (E_RNA)
where:
Base-Base interactions energy: -101.932
where: short stacking energy: -58.702
Base-Backbone interact. energy: -1.362
local terms energy: -67.742690
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -13.600
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: 307
Temperature: 1.100000
Total energy: -165.220993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.220993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.220993 (E_RNA)
where:
Base-Base interactions energy: -104.514
where: short stacking energy: -62.591
Base-Backbone interact. energy: -0.407
local terms energy: -60.299843
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -147.853872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.853872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.853872 (E_RNA)
where:
Base-Base interactions energy: -89.060
where: short stacking energy: -42.563
Base-Backbone interact. energy: 0.347
local terms energy: -59.140756
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -101.194818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.194818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.194818 (E_RNA)
where:
Base-Base interactions energy: -45.130
where: short stacking energy: -31.523
Base-Backbone interact. energy: -0.214
local terms energy: -55.851103
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -88.743934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.743934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.743934 (E_RNA)
where:
Base-Base interactions energy: -37.840
where: short stacking energy: -29.607
Base-Backbone interact. energy: 0.064
local terms energy: -50.967736
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -80.261487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.261487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.261487 (E_RNA)
where:
Base-Base interactions energy: -31.338
where: short stacking energy: -23.059
Base-Backbone interact. energy: -0.138
local terms energy: -48.785788
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: 3.340
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: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -82.547796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.547796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.547796 (E_RNA)
where:
Base-Base interactions energy: -33.507
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.085
local terms energy: -48.955726
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -215.341704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.341704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.341704 (E_RNA)
where:
Base-Base interactions energy: -137.888
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.313
local terms energy: -77.140845
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -10.673
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: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -184.952095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.952095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.952095 (E_RNA)
where:
Base-Base interactions energy: -115.874
where: short stacking energy: -54.985
Base-Backbone interact. energy: -0.563
local terms energy: -68.515272
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -184.447098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.447098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.447098 (E_RNA)
where:
Base-Base interactions energy: -114.552
where: short stacking energy: -60.300
Base-Backbone interact. energy: -1.766
local terms energy: -68.129001
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -17.631
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: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -162.860069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.860069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.860069 (E_RNA)
where:
Base-Base interactions energy: -99.683
where: short stacking energy: -53.995
Base-Backbone interact. energy: -2.150
local terms energy: -61.027276
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -149.212133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.212133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.212133 (E_RNA)
where:
Base-Base interactions energy: -88.810
where: short stacking energy: -44.881
Base-Backbone interact. energy: 0.519
local terms energy: -60.921158
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -12.046
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -156.515317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.515317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.515317 (E_RNA)
where:
Base-Base interactions energy: -93.768
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.094
local terms energy: -62.652672
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -12.349
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: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -102.553304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.553304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.553304 (E_RNA)
where:
Base-Base interactions energy: -64.032
where: short stacking energy: -25.605
Base-Backbone interact. energy: -0.869
local terms energy: -37.652351
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -3.865
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: 1.267
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: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -87.129705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.129705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.129705 (E_RNA)
where:
Base-Base interactions energy: -40.622
where: short stacking energy: -24.172
Base-Backbone interact. energy: -0.300
local terms energy: -46.207765
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -80.828571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.828571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.828571 (E_RNA)
where:
Base-Base interactions energy: -38.093
where: short stacking energy: -33.348
Base-Backbone interact. energy: 0.167
local terms energy: -42.902374
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -3.364
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: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -77.305645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.305645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.305645 (E_RNA)
where:
Base-Base interactions energy: -29.529
where: short stacking energy: -18.262
Base-Backbone interact. energy: -0.204
local terms energy: -47.572288
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: 1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -215.482784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.482784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.482784 (E_RNA)
where:
Base-Base interactions energy: -131.329
where: short stacking energy: -62.421
Base-Backbone interact. energy: -0.639
local terms energy: -83.514475
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -176.675339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.675339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.675339 (E_RNA)
where:
Base-Base interactions energy: -108.207
where: short stacking energy: -57.284
Base-Backbone interact. energy: -0.055
local terms energy: -68.412831
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -13.454
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -177.496007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.496007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.496007 (E_RNA)
where:
Base-Base interactions energy: -106.188
where: short stacking energy: -61.871
Base-Backbone interact. energy: 1.045
local terms energy: -72.353543
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -17.452
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: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -172.018722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.018722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.018722 (E_RNA)
where:
Base-Base interactions energy: -105.817
where: short stacking energy: -59.848
Base-Backbone interact. energy: -0.113
local terms energy: -66.088822
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -159.130609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.130609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.130609 (E_RNA)
where:
Base-Base interactions energy: -96.858
where: short stacking energy: -41.233
Base-Backbone interact. energy: 0.038
local terms energy: -62.310794
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -151.503101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.503101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.503101 (E_RNA)
where:
Base-Base interactions energy: -82.697
where: short stacking energy: -41.461
Base-Backbone interact. energy: -1.046
local terms energy: -67.760061
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -96.613480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.613480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.613480 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -33.396
Base-Backbone interact. energy: -0.193
local terms energy: -59.172630
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -82.618632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.618632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.618632 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -30.832
Base-Backbone interact. energy: 1.597
local terms energy: -52.146250
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -87.889460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.889460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.889460 (E_RNA)
where:
Base-Base interactions energy: -30.993
where: short stacking energy: -30.989
Base-Backbone interact. energy: -0.151
local terms energy: -56.745888
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -11.842
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: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -77.987784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.987784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.987784 (E_RNA)
where:
Base-Base interactions energy: -24.158
where: short stacking energy: -24.032
Base-Backbone interact. energy: -0.073
local terms energy: -53.756742
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -0.899
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: 310
Temperature: 0.900000
Total energy: -211.998308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.998308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.998308 (E_RNA)
where:
Base-Base interactions energy: -130.994
where: short stacking energy: -68.117
Base-Backbone interact. energy: -0.104
local terms energy: -80.900150
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -179.624784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.624784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.624784 (E_RNA)
where:
Base-Base interactions energy: -103.288
where: short stacking energy: -69.197
Base-Backbone interact. energy: -1.031
local terms energy: -75.304879
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -6.238
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: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -167.645831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.645831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.645831 (E_RNA)
where:
Base-Base interactions energy: -96.344
where: short stacking energy: -52.982
Base-Backbone interact. energy: 0.771
local terms energy: -72.073530
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -11.767
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: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -186.367728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.367728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.367728 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.538
local terms energy: -70.721110
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -158.434161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.434161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.434161 (E_RNA)
where:
Base-Base interactions energy: -97.430
where: short stacking energy: -40.460
Base-Backbone interact. energy: -0.283
local terms energy: -60.720820
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -149.134998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.134998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.134998 (E_RNA)
where:
Base-Base interactions energy: -84.558
where: short stacking energy: -48.845
Base-Backbone interact. energy: -0.408
local terms energy: -64.168560
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -89.925696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.925696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.925696 (E_RNA)
where:
Base-Base interactions energy: -40.154
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.241
local terms energy: -49.530293
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -95.303218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.303218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.303218 (E_RNA)
where:
Base-Base interactions energy: -43.865
where: short stacking energy: -21.673
Base-Backbone interact. energy: -0.036
local terms energy: -51.402191
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -87.441431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441431 (E_RNA)
where:
Base-Base interactions energy: -36.638
where: short stacking energy: -36.111
Base-Backbone interact. energy: -0.109
local terms energy: -50.695142
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -78.345083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.345083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.345083 (E_RNA)
where:
Base-Base interactions energy: -27.544
where: short stacking energy: -24.632
Base-Backbone interact. energy: -0.132
local terms energy: -50.668890
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -204.454588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.454588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.454588 (E_RNA)
where:
Base-Base interactions energy: -123.739
where: short stacking energy: -74.033
Base-Backbone interact. energy: -0.028
local terms energy: -80.687631
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -178.960070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.960070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.960070 (E_RNA)
where:
Base-Base interactions energy: -104.429
where: short stacking energy: -59.546
Base-Backbone interact. energy: -0.121
local terms energy: -74.410020
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -14.179
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: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -174.260922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.260922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.260922 (E_RNA)
where:
Base-Base interactions energy: -108.963
where: short stacking energy: -61.581
Base-Backbone interact. energy: -0.003
local terms energy: -65.295362
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -13.974
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: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -182.859659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.859659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.859659 (E_RNA)
where:
Base-Base interactions energy: -109.778
where: short stacking energy: -56.620
Base-Backbone interact. energy: 0.293
local terms energy: -73.374684
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -170.912010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.912010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.912010 (E_RNA)
where:
Base-Base interactions energy: -102.431
where: short stacking energy: -48.181
Base-Backbone interact. energy: -1.045
local terms energy: -67.435473
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -93.783659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.783659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.783659 (E_RNA)
where:
Base-Base interactions energy: -36.765
where: short stacking energy: -36.765
Base-Backbone interact. energy: -0.191
local terms energy: -56.827386
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -136.925461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.925461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.925461 (E_RNA)
where:
Base-Base interactions energy: -79.079
where: short stacking energy: -40.659
Base-Backbone interact. energy: -0.175
local terms energy: -57.671297
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -81.027233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.027233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.027233 (E_RNA)
where:
Base-Base interactions energy: -33.581
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.162
local terms energy: -47.284151
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -76.293153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.293153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.293153 (E_RNA)
where:
Base-Base interactions energy: -29.201
where: short stacking energy: -23.489
Base-Backbone interact. energy: -0.144
local terms energy: -46.947770
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -2.093
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: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -80.848318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.848318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.848318 (E_RNA)
where:
Base-Base interactions energy: -28.829
where: short stacking energy: -28.829
Base-Backbone interact. energy: -0.725
local terms energy: -51.294151
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -210.103892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.103892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.103892 (E_RNA)
where:
Base-Base interactions energy: -129.590
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.002
local terms energy: -80.511992
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -196.765331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.765331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.765331 (E_RNA)
where:
Base-Base interactions energy: -117.333
where: short stacking energy: -67.227
Base-Backbone interact. energy: -1.103
local terms energy: -78.328561
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -21.893
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: 312
Temperature: 1.000000
Total energy: -202.409206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.409206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.409206 (E_RNA)
where:
Base-Base interactions energy: -129.281
where: short stacking energy: -63.129
Base-Backbone interact. energy: -0.025
local terms energy: -73.103556
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -178.119008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.119008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.119008 (E_RNA)
where:
Base-Base interactions energy: -110.453
where: short stacking energy: -59.810
Base-Backbone interact. energy: -0.747
local terms energy: -66.918064
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -14.488
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: 312
Temperature: 1.100000
Total energy: -102.662280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.662280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.662280 (E_RNA)
where:
Base-Base interactions energy: -41.144
where: short stacking energy: -41.144
Base-Backbone interact. energy: -0.202
local terms energy: -61.316440
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -11.929
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: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -147.885385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.885385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.885385 (E_RNA)
where:
Base-Base interactions energy: -87.468
where: short stacking energy: -42.592
Base-Backbone interact. energy: -1.601
local terms energy: -58.816024
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -10.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -148.659694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.659694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.659694 (E_RNA)
where:
Base-Base interactions energy: -91.957
where: short stacking energy: -43.701
Base-Backbone interact. energy: -0.089
local terms energy: -56.614237
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -9.783
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: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -86.519338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.519338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.519338 (E_RNA)
where:
Base-Base interactions energy: -37.147
where: short stacking energy: -37.147
Base-Backbone interact. energy: -0.125
local terms energy: -49.247571
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -79.229330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.229330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.229330 (E_RNA)
where:
Base-Base interactions energy: -42.704
where: short stacking energy: -15.337
Base-Backbone interact. energy: -0.741
local terms energy: -35.785006
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: 7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -80.741969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.741969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.741969 (E_RNA)
where:
Base-Base interactions energy: -30.642
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.191
local terms energy: -49.908711
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -218.358476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.358476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.358476 (E_RNA)
where:
Base-Base interactions energy: -141.743
where: short stacking energy: -60.243
Base-Backbone interact. energy: -0.607
local terms energy: -76.008685
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -196.709933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.709933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.709933 (E_RNA)
where:
Base-Base interactions energy: -120.919
where: short stacking energy: -72.079
Base-Backbone interact. energy: -0.019
local terms energy: -75.771814
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -196.092597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.092597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.092597 (E_RNA)
where:
Base-Base interactions energy: -121.906
where: short stacking energy: -65.013
Base-Backbone interact. energy: -0.610
local terms energy: -73.577107
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -162.286638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.286638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.286638 (E_RNA)
where:
Base-Base interactions energy: -106.471
where: short stacking energy: -54.158
Base-Backbone interact. energy: -0.642
local terms energy: -55.173152
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -7.160
flat angles P-C4'-P energy: -8.475
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: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -106.922129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.922129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.922129 (E_RNA)
where:
Base-Base interactions energy: -55.410
where: short stacking energy: -29.690
Base-Backbone interact. energy: -0.350
local terms energy: -51.161623
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -150.660680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.660680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.660680 (E_RNA)
where:
Base-Base interactions energy: -88.027
where: short stacking energy: -42.033
Base-Backbone interact. energy: -0.051
local terms energy: -62.582440
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -147.893118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.893118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.893118 (E_RNA)
where:
Base-Base interactions energy: -81.608
where: short stacking energy: -43.943
Base-Backbone interact. energy: -0.228
local terms energy: -66.056258
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -10.642
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: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -101.848983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.848983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.848983 (E_RNA)
where:
Base-Base interactions energy: -53.904
where: short stacking energy: -31.514
Base-Backbone interact. energy: -0.694
local terms energy: -47.250637
where:
bonds (distance) C4'-P energy: -7.968
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -91.708712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.708712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.708712 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -36.506
Base-Backbone interact. energy: -0.480
local terms energy: -54.722652
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -9.014
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -87.980950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.980950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.980950 (E_RNA)
where:
Base-Base interactions energy: -41.323
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.194
local terms energy: -46.464055
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -215.910599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.910599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.910599 (E_RNA)
where:
Base-Base interactions energy: -137.731
where: short stacking energy: -60.859
Base-Backbone interact. energy: -0.019
local terms energy: -78.160781
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -207.069477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.069477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.069477 (E_RNA)
where:
Base-Base interactions energy: -128.417
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.176
local terms energy: -78.477129
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -20.586
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: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -189.004216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.004216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.004216 (E_RNA)
where:
Base-Base interactions energy: -110.778
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.013
local terms energy: -78.212535
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -169.623430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.623430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.623430 (E_RNA)
where:
Base-Base interactions energy: -109.131
where: short stacking energy: -42.669
Base-Backbone interact. energy: -0.937
local terms energy: -59.556008
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -153.906129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.906129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.906129 (E_RNA)
where:
Base-Base interactions energy: -88.919
where: short stacking energy: -47.294
Base-Backbone interact. energy: -0.273
local terms energy: -64.713801
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -8.721
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: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -107.143395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.143395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.143395 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -40.011
Base-Backbone interact. energy: -0.583
local terms energy: -65.785435
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -99.989421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.989421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.989421 (E_RNA)
where:
Base-Base interactions energy: -50.908
where: short stacking energy: -31.209
Base-Backbone interact. energy: -0.181
local terms energy: -48.899689
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -140.236057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.236057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.236057 (E_RNA)
where:
Base-Base interactions energy: -89.453
where: short stacking energy: -42.644
Base-Backbone interact. energy: -0.460
local terms energy: -50.323250
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -7.399
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: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -86.472464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.472464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.472464 (E_RNA)
where:
Base-Base interactions energy: -32.469
where: short stacking energy: -19.502
Base-Backbone interact. energy: 0.042
local terms energy: -54.045091
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -1.024
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: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -85.896925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.896925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.896925 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.086
local terms energy: -50.807338
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -213.573673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.573673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.573673 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -63.872
Base-Backbone interact. energy: -0.583
local terms energy: -73.760994
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -17.806
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -196.460881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.460881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.460881 (E_RNA)
where:
Base-Base interactions energy: -123.754
where: short stacking energy: -66.992
Base-Backbone interact. energy: 0.072
local terms energy: -72.779317
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -198.027193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.027193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.027193 (E_RNA)
where:
Base-Base interactions energy: -127.375
where: short stacking energy: -74.898
Base-Backbone interact. energy: -0.013
local terms energy: -70.638756
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -22.163
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: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -164.327118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.327118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.327118 (E_RNA)
where:
Base-Base interactions energy: -103.819
where: short stacking energy: -51.704
Base-Backbone interact. energy: -0.312
local terms energy: -60.195454
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -9.933
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: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -156.583836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.583836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.583836 (E_RNA)
where:
Base-Base interactions energy: -81.879
where: short stacking energy: -47.690
Base-Backbone interact. energy: -1.959
local terms energy: -72.745592
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -95.936204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.936204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.936204 (E_RNA)
where:
Base-Base interactions energy: -37.446
where: short stacking energy: -25.740
Base-Backbone interact. energy: -0.192
local terms energy: -58.298211
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -96.442466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.442466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.442466 (E_RNA)
where:
Base-Base interactions energy: -43.879
where: short stacking energy: -39.467
Base-Backbone interact. energy: -0.092
local terms energy: -52.471333
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -134.740701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.740701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.740701 (E_RNA)
where:
Base-Base interactions energy: -77.473
where: short stacking energy: -39.985
Base-Backbone interact. energy: -0.007
local terms energy: -57.260789
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -8.970
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: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -81.910003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.910003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.910003 (E_RNA)
where:
Base-Base interactions energy: -33.294
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.002
local terms energy: -48.614029
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -73.610054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.610054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.610054 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -28.699
Base-Backbone interact. energy: 0.916
local terms energy: -41.541729
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -205.462150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.462150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.462150 (E_RNA)
where:
Base-Base interactions energy: -131.419
where: short stacking energy: -67.519
Base-Backbone interact. energy: -1.796
local terms energy: -72.246831
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -207.027618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.027618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.027618 (E_RNA)
where:
Base-Base interactions energy: -129.374
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.026
local terms energy: -77.627633
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -11.603
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: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -192.323607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.323607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.323607 (E_RNA)
where:
Base-Base interactions energy: -122.074
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.596
local terms energy: -69.653807
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -12.120
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: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -177.703277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.703277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.703277 (E_RNA)
where:
Base-Base interactions energy: -119.280
where: short stacking energy: -42.938
Base-Backbone interact. energy: -0.142
local terms energy: -58.281171
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -9.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -172.009801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.009801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.009801 (E_RNA)
where:
Base-Base interactions energy: -106.677
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.157
local terms energy: -65.175454
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -101.565532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.565532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.565532 (E_RNA)
where:
Base-Base interactions energy: -53.019
where: short stacking energy: -32.094
Base-Backbone interact. energy: -0.577
local terms energy: -47.969899
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -103.870485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.870485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.870485 (E_RNA)
where:
Base-Base interactions energy: -44.400
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.049
local terms energy: -59.421466
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -8.041
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: 316
Temperature: 1.250000
Total energy: -87.696117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.696117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.696117 (E_RNA)
where:
Base-Base interactions energy: -35.570
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.079
local terms energy: -52.047071
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -81.969417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.969417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.969417 (E_RNA)
where:
Base-Base interactions energy: -30.402
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.026
local terms energy: -51.540699
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -68.121740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.121740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.121740 (E_RNA)
where:
Base-Base interactions energy: -29.101
where: short stacking energy: -19.464
Base-Backbone interact. energy: -0.097
local terms energy: -38.923918
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -199.249421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.249421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.249421 (E_RNA)
where:
Base-Base interactions energy: -131.570
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.329
local terms energy: -67.350516
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -7.173
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: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -200.537312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.537312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.537312 (E_RNA)
where:
Base-Base interactions energy: -121.043
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.005
local terms energy: -79.489380
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -202.227378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.227378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.227378 (E_RNA)
where:
Base-Base interactions energy: -134.498
where: short stacking energy: -63.336
Base-Backbone interact. energy: -0.206
local terms energy: -67.522779
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -18.185
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: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -178.759674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.759674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.759674 (E_RNA)
where:
Base-Base interactions energy: -110.986
where: short stacking energy: -50.588
Base-Backbone interact. energy: -1.479
local terms energy: -66.294465
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -162.808764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.808764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.808764 (E_RNA)
where:
Base-Base interactions energy: -105.896
where: short stacking energy: -54.488
Base-Backbone interact. energy: -1.078
local terms energy: -55.834180
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -122.216981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.216981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.216981 (E_RNA)
where:
Base-Base interactions energy: -66.007
where: short stacking energy: -40.217
Base-Backbone interact. energy: -0.255
local terms energy: -55.955149
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -91.171944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.171944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.171944 (E_RNA)
where:
Base-Base interactions energy: -42.139
where: short stacking energy: -41.261
Base-Backbone interact. energy: -0.023
local terms energy: -49.009779
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -2.037
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -97.123537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.123537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.123537 (E_RNA)
where:
Base-Base interactions energy: -43.363
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.056
local terms energy: -53.704860
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -9.925
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: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -92.468260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.468260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.468260 (E_RNA)
where:
Base-Base interactions energy: -42.256
where: short stacking energy: -22.163
Base-Backbone interact. energy: -0.201
local terms energy: -50.012003
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -0.317
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: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -81.503794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.503794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.503794 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -25.124
Base-Backbone interact. energy: -0.121
local terms energy: -47.116927
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -205.745300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745300 (E_RNA)
where:
Base-Base interactions energy: -130.689
where: short stacking energy: -73.924
Base-Backbone interact. energy: -0.794
local terms energy: -74.261776
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -190.587501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.587501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.587501 (E_RNA)
where:
Base-Base interactions energy: -114.965
where: short stacking energy: -60.779
Base-Backbone interact. energy: -1.458
local terms energy: -74.163845
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -167.163445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.163445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.163445 (E_RNA)
where:
Base-Base interactions energy: -111.627
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.470
local terms energy: -55.066386
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -185.291768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.291768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.291768 (E_RNA)
where:
Base-Base interactions energy: -115.391
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.054
local terms energy: -69.846368
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -11.820
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: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -158.565042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.565042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.565042 (E_RNA)
where:
Base-Base interactions energy: -93.835
where: short stacking energy: -52.986
Base-Backbone interact. energy: -0.104
local terms energy: -64.625925
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -89.718727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.718727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.718727 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -26.289
Base-Backbone interact. energy: -1.111
local terms energy: -59.703362
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -109.309219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.309219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.309219 (E_RNA)
where:
Base-Base interactions energy: -62.459
where: short stacking energy: -46.924
Base-Backbone interact. energy: -0.005
local terms energy: -46.845207
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -7.069
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -9.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -86.421044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.421044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.421044 (E_RNA)
where:
Base-Base interactions energy: -35.291
where: short stacking energy: -26.145
Base-Backbone interact. energy: -0.267
local terms energy: -50.862439
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: 1.021
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: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -79.452442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.452442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.452442 (E_RNA)
where:
Base-Base interactions energy: -25.405
where: short stacking energy: -12.591
Base-Backbone interact. energy: -1.751
local terms energy: -52.296179
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: 1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -83.934598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.934598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.934598 (E_RNA)
where:
Base-Base interactions energy: -37.547
where: short stacking energy: -23.779
Base-Backbone interact. energy: -0.416
local terms energy: -45.970819
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -205.922349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.922349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.922349 (E_RNA)
where:
Base-Base interactions energy: -126.870
where: short stacking energy: -73.488
Base-Backbone interact. energy: -0.986
local terms energy: -78.067180
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -22.070
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: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -192.295310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.295310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.295310 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.001
local terms energy: -72.998720
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -170.685011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.685011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.685011 (E_RNA)
where:
Base-Base interactions energy: -108.764
where: short stacking energy: -62.833
Base-Backbone interact. energy: -0.532
local terms energy: -61.388974
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -17.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -203.584313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584313 (E_RNA)
where:
Base-Base interactions energy: -124.215
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.496
local terms energy: -78.872531
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -124.027324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.027324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.027324 (E_RNA)
where:
Base-Base interactions energy: -55.231
where: short stacking energy: -46.977
Base-Backbone interact. energy: -0.001
local terms energy: -68.795472
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -103.873985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.873985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.873985 (E_RNA)
where:
Base-Base interactions energy: -60.004
where: short stacking energy: -26.119
Base-Backbone interact. energy: -0.259
local terms energy: -43.611065
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -94.496169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.496169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.496169 (E_RNA)
where:
Base-Base interactions energy: -37.334
where: short stacking energy: -34.468
Base-Backbone interact. energy: -0.083
local terms energy: -57.079610
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -6.392
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: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -81.814686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814686 (E_RNA)
where:
Base-Base interactions energy: -27.544
where: short stacking energy: -18.966
Base-Backbone interact. energy: -0.268
local terms energy: -54.002102
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -86.256379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256379 (E_RNA)
where:
Base-Base interactions energy: -37.595
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.661
local terms energy: -47.999588
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -3.759
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: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -126.276717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.276717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.276717 (E_RNA)
where:
Base-Base interactions energy: -70.093
where: short stacking energy: -40.151
Base-Backbone interact. energy: -0.554
local terms energy: -55.629714
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -194.270777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.270777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.270777 (E_RNA)
where:
Base-Base interactions energy: -124.453
where: short stacking energy: -66.930
Base-Backbone interact. energy: -0.274
local terms energy: -69.543966
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -8.274
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: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -200.319467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.319467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.319467 (E_RNA)
where:
Base-Base interactions energy: -128.169
where: short stacking energy: -64.526
Base-Backbone interact. energy: -0.001
local terms energy: -72.149501
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -174.354333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.354333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.354333 (E_RNA)
where:
Base-Base interactions energy: -107.234
where: short stacking energy: -49.846
Base-Backbone interact. energy: -0.630
local terms energy: -66.490596
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -13.047
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: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -178.902293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.902293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.902293 (E_RNA)
where:
Base-Base interactions energy: -113.047
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.156
local terms energy: -65.698458
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -120.950289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.950289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.950289 (E_RNA)
where:
Base-Base interactions energy: -66.085
where: short stacking energy: -47.531
Base-Backbone interact. energy: 0.271
local terms energy: -55.136019
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -111.254048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.254048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.254048 (E_RNA)
where:
Base-Base interactions energy: -50.751
where: short stacking energy: -50.751
Base-Backbone interact. energy: -0.081
local terms energy: -60.421981
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -118.463409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.463409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.463409 (E_RNA)
where:
Base-Base interactions energy: -61.127
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.244
local terms energy: -57.092410
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.540
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: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -87.875561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.875561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.875561 (E_RNA)
where:
Base-Base interactions energy: -34.566
where: short stacking energy: -33.519
Base-Backbone interact. energy: -0.035
local terms energy: -53.275304
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -10.278
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: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -72.012759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.012759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.012759 (E_RNA)
where:
Base-Base interactions energy: -24.625
where: short stacking energy: -24.625
Base-Backbone interact. energy: -0.085
local terms energy: -47.303002
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: 3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -82.264434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.264434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.264434 (E_RNA)
where:
Base-Base interactions energy: -26.648
where: short stacking energy: -24.675
Base-Backbone interact. energy: -0.007
local terms energy: -55.609833
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -3.142
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: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -177.902494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.902494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.902494 (E_RNA)
where:
Base-Base interactions energy: -100.716
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.651
local terms energy: -76.535112
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -17.218
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: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -190.560905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.560905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.560905 (E_RNA)
where:
Base-Base interactions energy: -112.019
where: short stacking energy: -64.391
Base-Backbone interact. energy: -0.373
local terms energy: -78.168708
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -197.582503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.582503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.582503 (E_RNA)
where:
Base-Base interactions energy: -124.601
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.309
local terms energy: -72.672681
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -19.953
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: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -177.846051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.846051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.846051 (E_RNA)
where:
Base-Base interactions energy: -111.655
where: short stacking energy: -59.151
Base-Backbone interact. energy: 3.488
local terms energy: -69.678616
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -8.704
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: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -102.129609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.129609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.129609 (E_RNA)
where:
Base-Base interactions energy: -51.253
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.500
local terms energy: -50.376444
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -103.743638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.743638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.743638 (E_RNA)
where:
Base-Base interactions energy: -40.423
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.118
local terms energy: -63.202633
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -127.415484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.415484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.415484 (E_RNA)
where:
Base-Base interactions energy: -73.245
where: short stacking energy: -40.095
Base-Backbone interact. energy: -0.083
local terms energy: -54.087567
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -8.246
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: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -96.418327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.418327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.418327 (E_RNA)
where:
Base-Base interactions energy: -37.559
where: short stacking energy: -36.756
Base-Backbone interact. energy: -1.005
local terms energy: -57.853858
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -10.219
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: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -91.019043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.019043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.019043 (E_RNA)
where:
Base-Base interactions energy: -43.558
where: short stacking energy: -34.451
Base-Backbone interact. energy: 0.314
local terms energy: -47.774587
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -7.237
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -8.268
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: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -104.605935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.605935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.605935 (E_RNA)
where:
Base-Base interactions energy: -50.638
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.234
local terms energy: -53.733175
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -10.253
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: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -206.278907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.278907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.278907 (E_RNA)
where:
Base-Base interactions energy: -135.860
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.379
local terms energy: -70.040431
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -189.664470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.664470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.664470 (E_RNA)
where:
Base-Base interactions energy: -116.180
where: short stacking energy: -52.401
Base-Backbone interact. energy: -1.123
local terms energy: -72.361829
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -178.130541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.130541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.130541 (E_RNA)
where:
Base-Base interactions energy: -107.799
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.264
local terms energy: -70.067347
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -191.497142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.497142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.497142 (E_RNA)
where:
Base-Base interactions energy: -119.026
where: short stacking energy: -66.861
Base-Backbone interact. energy: -0.022
local terms energy: -72.448569
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -22.165
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: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -97.962910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.962910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.962910 (E_RNA)
where:
Base-Base interactions energy: -43.369
where: short stacking energy: -41.869
Base-Backbone interact. energy: -0.005
local terms energy: -54.588876
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -96.235924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.235924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.235924 (E_RNA)
where:
Base-Base interactions energy: -37.618
where: short stacking energy: -26.876
Base-Backbone interact. energy: -0.105
local terms energy: -58.512734
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -93.927353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.927353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.927353 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -23.674
Base-Backbone interact. energy: -1.299
local terms energy: -54.598986
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -79.979741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.979741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.979741 (E_RNA)
where:
Base-Base interactions energy: -28.714
where: short stacking energy: -27.471
Base-Backbone interact. energy: 0.470
local terms energy: -51.735740
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -76.099100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.099100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.099100 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -26.011
Base-Backbone interact. energy: 0.152
local terms energy: -36.620003
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -2.629
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -81.851027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.851027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.851027 (E_RNA)
where:
Base-Base interactions energy: -32.688
where: short stacking energy: -25.878
Base-Backbone interact. energy: -1.409
local terms energy: -47.754067
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.013
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: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -201.832087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.832087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.832087 (E_RNA)
where:
Base-Base interactions energy: -131.961
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.221
local terms energy: -69.650284
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -193.912816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.912816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.912816 (E_RNA)
where:
Base-Base interactions energy: -123.510
where: short stacking energy: -67.412
Base-Backbone interact. energy: -0.336
local terms energy: -70.067174
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -180.713940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.713940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.713940 (E_RNA)
where:
Base-Base interactions energy: -110.236
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.001
local terms energy: -70.477811
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -112.538725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.538725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.538725 (E_RNA)
where:
Base-Base interactions energy: -48.187
where: short stacking energy: -41.142
Base-Backbone interact. energy: 0.538
local terms energy: -64.889841
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -8.909
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: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -171.765218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.765218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.765218 (E_RNA)
where:
Base-Base interactions energy: -100.977
where: short stacking energy: -49.689
Base-Backbone interact. energy: -0.970
local terms energy: -69.818676
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -91.952297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.952297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.952297 (E_RNA)
where:
Base-Base interactions energy: -45.566
where: short stacking energy: -37.327
Base-Backbone interact. energy: -0.658
local terms energy: -45.728342
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -90.419029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.419029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.419029 (E_RNA)
where:
Base-Base interactions energy: -37.681
where: short stacking energy: -31.763
Base-Backbone interact. energy: 0.131
local terms energy: -52.869009
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -110.735550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.735550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.735550 (E_RNA)
where:
Base-Base interactions energy: -52.335
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.929
local terms energy: -57.471090
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -6.510
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: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -88.399619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.399619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.399619 (E_RNA)
where:
Base-Base interactions energy: -38.154
where: short stacking energy: -38.454
Base-Backbone interact. energy: -0.312
local terms energy: -49.933384
where:
bonds (distance) C4'-P energy: -3.707
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -8.980
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: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -81.011990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.011990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.011990 (E_RNA)
where:
Base-Base interactions energy: -42.028
where: short stacking energy: -14.843
Base-Backbone interact. energy: -0.276
local terms energy: -38.708276
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -6.971
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -211.857567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.857567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.857567 (E_RNA)
where:
Base-Base interactions energy: -132.891
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.104
local terms energy: -78.862528
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -17.307
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: 324
Temperature: 0.950000
Total energy: -184.159544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.159544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.159544 (E_RNA)
where:
Base-Base interactions energy: -114.767
where: short stacking energy: -54.015
Base-Backbone interact. energy: -0.454
local terms energy: -68.938261
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -187.349436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.349436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.349436 (E_RNA)
where:
Base-Base interactions energy: -117.274
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.224
local terms energy: -69.851582
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -111.898342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.898342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.898342 (E_RNA)
where:
Base-Base interactions energy: -46.769
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.101
local terms energy: -65.028569
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -9.005
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: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -163.475628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.475628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.475628 (E_RNA)
where:
Base-Base interactions energy: -97.181
where: short stacking energy: -38.740
Base-Backbone interact. energy: -0.663
local terms energy: -65.631683
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -105.365266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.365266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.365266 (E_RNA)
where:
Base-Base interactions energy: -51.673
where: short stacking energy: -43.825
Base-Backbone interact. energy: -0.141
local terms energy: -53.551390
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -94.484396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.484396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.484396 (E_RNA)
where:
Base-Base interactions energy: -39.899
where: short stacking energy: -39.899
Base-Backbone interact. energy: -0.107
local terms energy: -54.478066
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -90.207969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.207969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.207969 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.843
local terms energy: -54.308730
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -2.392
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: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -88.300540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.300540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.300540 (E_RNA)
where:
Base-Base interactions energy: -29.551
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.004
local terms energy: -58.745469
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -73.962119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.962119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.962119 (E_RNA)
where:
Base-Base interactions energy: -34.547
where: short stacking energy: -16.787
Base-Backbone interact. energy: 0.441
local terms energy: -39.856204
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -8.188
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -212.737143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.737143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.737143 (E_RNA)
where:
Base-Base interactions energy: -130.269
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.579
local terms energy: -81.889160
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -201.142931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.142931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.142931 (E_RNA)
where:
Base-Base interactions energy: -124.501
where: short stacking energy: -57.479
Base-Backbone interact. energy: -0.561
local terms energy: -76.081020
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -176.167644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.167644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.167644 (E_RNA)
where:
Base-Base interactions energy: -106.940
where: short stacking energy: -56.733
Base-Backbone interact. energy: -0.009
local terms energy: -69.219017
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -178.613455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.613455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.613455 (E_RNA)
where:
Base-Base interactions energy: -113.543
where: short stacking energy: -55.999
Base-Backbone interact. energy: -1.465
local terms energy: -63.604673
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -14.306
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: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -120.749322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.749322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.749322 (E_RNA)
where:
Base-Base interactions energy: -55.511
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.021
local terms energy: -65.216785
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -98.421697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.421697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.421697 (E_RNA)
where:
Base-Base interactions energy: -39.793
where: short stacking energy: -36.593
Base-Backbone interact. energy: -0.407
local terms energy: -58.221402
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -105.353769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.353769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.353769 (E_RNA)
where:
Base-Base interactions energy: -57.528
where: short stacking energy: -39.512
Base-Backbone interact. energy: 0.583
local terms energy: -48.408105
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -87.943698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.943698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.943698 (E_RNA)
where:
Base-Base interactions energy: -38.399
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.173
local terms energy: -49.371673
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -86.560587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.560587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.560587 (E_RNA)
where:
Base-Base interactions energy: -32.905
where: short stacking energy: -31.866
Base-Backbone interact. energy: -0.073
local terms energy: -53.582286
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -4.384
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: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -78.011683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.011683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.011683 (E_RNA)
where:
Base-Base interactions energy: -27.549
where: short stacking energy: -27.519
Base-Backbone interact. energy: -0.438
local terms energy: -50.024303
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -5.106
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: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -201.144693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.144693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.144693 (E_RNA)
where:
Base-Base interactions energy: -131.671
where: short stacking energy: -55.199
Base-Backbone interact. energy: -0.184
local terms energy: -69.289052
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -195.932107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.932107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.932107 (E_RNA)
where:
Base-Base interactions energy: -119.148
where: short stacking energy: -68.196
Base-Backbone interact. energy: -0.012
local terms energy: -76.771638
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -19.878
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: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -186.330105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.330105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.330105 (E_RNA)
where:
Base-Base interactions energy: -118.352
where: short stacking energy: -57.026
Base-Backbone interact. energy: -0.401
local terms energy: -67.576797
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -169.232099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.232099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.232099 (E_RNA)
where:
Base-Base interactions energy: -104.536
where: short stacking energy: -56.234
Base-Backbone interact. energy: -2.665
local terms energy: -62.031202
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -14.630
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: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -130.519001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.519001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.519001 (E_RNA)
where:
Base-Base interactions energy: -71.564
where: short stacking energy: -37.179
Base-Backbone interact. energy: 0.005
local terms energy: -58.959585
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -98.993236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.993236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.993236 (E_RNA)
where:
Base-Base interactions energy: -39.145
where: short stacking energy: -35.862
Base-Backbone interact. energy: -0.502
local terms energy: -59.346260
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -7.835
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: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -102.369045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.369045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.369045 (E_RNA)
where:
Base-Base interactions energy: -51.145
where: short stacking energy: -31.997
Base-Backbone interact. energy: -0.095
local terms energy: -51.129080
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -4.444
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: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -89.273573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273573 (E_RNA)
where:
Base-Base interactions energy: -22.812
where: short stacking energy: -22.414
Base-Backbone interact. energy: -0.901
local terms energy: -65.560515
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -5.165
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: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -73.686589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.686589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.686589 (E_RNA)
where:
Base-Base interactions energy: -27.901
where: short stacking energy: -19.269
Base-Backbone interact. energy: 0.125
local terms energy: -45.910519
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -7.637
flat angles P-C4'-P energy: -1.617
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -81.602583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.602583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.602583 (E_RNA)
where:
Base-Base interactions energy: -36.840
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.244
local terms energy: -44.518886
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -6.926
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: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -197.977876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.977876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.977876 (E_RNA)
where:
Base-Base interactions energy: -124.259
where: short stacking energy: -64.893
Base-Backbone interact. energy: 1.025
local terms energy: -74.743814
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -17.484
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: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -172.224501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.224501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.224501 (E_RNA)
where:
Base-Base interactions energy: -103.587
where: short stacking energy: -46.871
Base-Backbone interact. energy: 0.430
local terms energy: -69.067053
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -191.320237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.320237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.320237 (E_RNA)
where:
Base-Base interactions energy: -128.000
where: short stacking energy: -66.916
Base-Backbone interact. energy: -0.206
local terms energy: -63.113984
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -168.325857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.325857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.325857 (E_RNA)
where:
Base-Base interactions energy: -102.840
where: short stacking energy: -54.723
Base-Backbone interact. energy: -0.031
local terms energy: -65.454084
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -15.465
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: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -111.835205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.835205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.835205 (E_RNA)
where:
Base-Base interactions energy: -54.135
where: short stacking energy: -45.299
Base-Backbone interact. energy: -0.205
local terms energy: -57.494776
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -9.827
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: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -137.790077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.790077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.790077 (E_RNA)
where:
Base-Base interactions energy: -77.771
where: short stacking energy: -47.066
Base-Backbone interact. energy: -0.839
local terms energy: -59.180711
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -8.408
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: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -89.291674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.291674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.291674 (E_RNA)
where:
Base-Base interactions energy: -33.193
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.478
local terms energy: -55.620108
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -1.547
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: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -82.952037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952037 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -32.693
Base-Backbone interact. energy: 1.121
local terms energy: -46.544047
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -98.807097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.807097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.807097 (E_RNA)
where:
Base-Base interactions energy: -41.429
where: short stacking energy: -27.463
Base-Backbone interact. energy: -0.769
local terms energy: -56.609501
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -1.036
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: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -80.283220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.283220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.283220 (E_RNA)
where:
Base-Base interactions energy: -35.260
where: short stacking energy: -17.584
Base-Backbone interact. energy: 0.393
local terms energy: -45.416036
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -5.131
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: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -193.273221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.273221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.273221 (E_RNA)
where:
Base-Base interactions energy: -116.908
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.425
local terms energy: -75.941026
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -183.788940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.788940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.788940 (E_RNA)
where:
Base-Base interactions energy: -115.859
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.467
local terms energy: -67.462472
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -192.180794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.180794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.180794 (E_RNA)
where:
Base-Base interactions energy: -124.941
where: short stacking energy: -63.631
Base-Backbone interact. energy: -1.902
local terms energy: -65.337339
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -176.757072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.757072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.757072 (E_RNA)
where:
Base-Base interactions energy: -106.114
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.046
local terms energy: -70.597149
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -179.629137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.629137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.629137 (E_RNA)
where:
Base-Base interactions energy: -108.249
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.146
local terms energy: -71.234136
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -17.217
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: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -107.976347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.976347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.976347 (E_RNA)
where:
Base-Base interactions energy: -62.058
where: short stacking energy: -39.641
Base-Backbone interact. energy: 0.178
local terms energy: -46.096707
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -89.813075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813075 (E_RNA)
where:
Base-Base interactions energy: -45.348
where: short stacking energy: -19.538
Base-Backbone interact. energy: -0.248
local terms energy: -44.217151
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -82.731600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.731600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.731600 (E_RNA)
where:
Base-Base interactions energy: -41.140
where: short stacking energy: -20.899
Base-Backbone interact. energy: 0.496
local terms energy: -42.087447
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -86.212806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.212806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.212806 (E_RNA)
where:
Base-Base interactions energy: -43.484
where: short stacking energy: -34.570
Base-Backbone interact. energy: -0.020
local terms energy: -42.708934
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -90.399557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.399557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.399557 (E_RNA)
where:
Base-Base interactions energy: -45.985
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.412
local terms energy: -44.001924
where:
bonds (distance) C4'-P energy: -5.662
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: 2.369
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: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -187.344888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.344888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.344888 (E_RNA)
where:
Base-Base interactions energy: -108.463
where: short stacking energy: -56.882
Base-Backbone interact. energy: -0.644
local terms energy: -78.238063
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -17.528
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: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -202.581897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.581897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.581897 (E_RNA)
where:
Base-Base interactions energy: -127.497
where: short stacking energy: -76.073
Base-Backbone interact. energy: -1.348
local terms energy: -73.737691
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -178.976525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.976525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.976525 (E_RNA)
where:
Base-Base interactions energy: -112.253
where: short stacking energy: -61.893
Base-Backbone interact. energy: 0.338
local terms energy: -67.062207
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -160.087485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.087485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.087485 (E_RNA)
where:
Base-Base interactions energy: -104.787
where: short stacking energy: -59.312
Base-Backbone interact. energy: -0.412
local terms energy: -54.888199
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -9.732
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: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -169.885492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.885492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.885492 (E_RNA)
where:
Base-Base interactions energy: -107.240
where: short stacking energy: -54.684
Base-Backbone interact. energy: -0.904
local terms energy: -61.741907
where:
bonds (distance) C4'-P energy: -6.724
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -104.915378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.915378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.915378 (E_RNA)
where:
Base-Base interactions energy: -45.161
where: short stacking energy: -45.161
Base-Backbone interact. energy: -0.146
local terms energy: -59.608302
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -12.818
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: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -91.552249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.552249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.552249 (E_RNA)
where:
Base-Base interactions energy: -43.803
where: short stacking energy: -38.474
Base-Backbone interact. energy: -0.653
local terms energy: -47.095989
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -2.226
tors. eta vs tors. theta energy: -2.966
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: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -100.127053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.127053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.127053 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -32.380
Base-Backbone interact. energy: -0.161
local terms energy: -57.389387
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -77.884632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.884632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.884632 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -22.045
Base-Backbone interact. energy: -0.444
local terms energy: -42.595583
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -0.532
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: 329
Temperature: 1.350000
Total energy: -83.954699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.954699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.954699 (E_RNA)
where:
Base-Base interactions energy: -38.334
where: short stacking energy: -31.890
Base-Backbone interact. energy: 2.708
local terms energy: -48.328128
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -198.989748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.989748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.989748 (E_RNA)
where:
Base-Base interactions energy: -124.927
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.028
local terms energy: -74.034891
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -11.485
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: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -181.915951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.915951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.915951 (E_RNA)
where:
Base-Base interactions energy: -107.688
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.220
local terms energy: -74.007828
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -173.673513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.673513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.673513 (E_RNA)
where:
Base-Base interactions energy: -109.971
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.134
local terms energy: -63.568841
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -162.063310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.063310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.063310 (E_RNA)
where:
Base-Base interactions energy: -90.771
where: short stacking energy: -48.625
Base-Backbone interact. energy: -0.004
local terms energy: -71.287789
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -166.763688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.763688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.763688 (E_RNA)
where:
Base-Base interactions energy: -105.588
where: short stacking energy: -55.343
Base-Backbone interact. energy: -0.029
local terms energy: -61.146992
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -90.539994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.539994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.539994 (E_RNA)
where:
Base-Base interactions energy: -41.142
where: short stacking energy: -35.806
Base-Backbone interact. energy: 1.275
local terms energy: -50.673192
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -9.775
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: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -95.028634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.028634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.028634 (E_RNA)
where:
Base-Base interactions energy: -51.064
where: short stacking energy: -34.405
Base-Backbone interact. energy: -0.817
local terms energy: -43.147799
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -6.089
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: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -92.719691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.719691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.719691 (E_RNA)
where:
Base-Base interactions energy: -45.635
where: short stacking energy: -36.071
Base-Backbone interact. energy: -0.267
local terms energy: -46.817396
where:
bonds (distance) C4'-P energy: -6.531
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -93.387188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.387188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.387188 (E_RNA)
where:
Base-Base interactions energy: -45.849
where: short stacking energy: -32.970
Base-Backbone interact. energy: -0.116
local terms energy: -47.422796
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -84.301429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.301429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.301429 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -28.563
Base-Backbone interact. energy: 2.051
local terms energy: -57.789181
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -206.436954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.436954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.436954 (E_RNA)
where:
Base-Base interactions energy: -131.403
where: short stacking energy: -70.401
Base-Backbone interact. energy: -0.104
local terms energy: -74.929260
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -176.764035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.764035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.764035 (E_RNA)
where:
Base-Base interactions energy: -114.105
where: short stacking energy: -66.964
Base-Backbone interact. energy: -0.369
local terms energy: -62.289874
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.215
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: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -166.597529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.597529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.597529 (E_RNA)
where:
Base-Base interactions energy: -92.546
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.332
local terms energy: -73.719861
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -178.718924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.718924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.718924 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -53.889
Base-Backbone interact. energy: -0.400
local terms energy: -67.594836
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -171.360872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.360872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.360872 (E_RNA)
where:
Base-Base interactions energy: -108.003
where: short stacking energy: -52.485
Base-Backbone interact. energy: -0.111
local terms energy: -63.247465
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -2.424
tors. eta vs tors. theta energy: -14.320
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: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -99.218097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.218097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.218097 (E_RNA)
where:
Base-Base interactions energy: -34.641
where: short stacking energy: -34.641
Base-Backbone interact. energy: -0.032
local terms energy: -64.544299
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -109.928088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.928088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.928088 (E_RNA)
where:
Base-Base interactions energy: -50.851
where: short stacking energy: -31.776
Base-Backbone interact. energy: -0.432
local terms energy: -58.645446
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -6.078
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: 331
Temperature: 1.250000
Total energy: -90.724693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.724693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.724693 (E_RNA)
where:
Base-Base interactions energy: -40.766
where: short stacking energy: -30.391
Base-Backbone interact. energy: -0.315
local terms energy: -49.643137
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -85.047860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.047860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.047860 (E_RNA)
where:
Base-Base interactions energy: -37.425
where: short stacking energy: -31.766
Base-Backbone interact. energy: 0.007
local terms energy: -47.629962
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -79.968776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.968776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.968776 (E_RNA)
where:
Base-Base interactions energy: -26.923
where: short stacking energy: -23.424
Base-Backbone interact. energy: -1.602
local terms energy: -51.443834
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -208.974173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.974173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.974173 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -76.547
Base-Backbone interact. energy: -0.034
local terms energy: -81.716310
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -22.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -189.727579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.727579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.727579 (E_RNA)
where:
Base-Base interactions energy: -118.911
where: short stacking energy: -71.332
Base-Backbone interact. energy: -0.001
local terms energy: -70.815263
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -17.761
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: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -193.829834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.829834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.829834 (E_RNA)
where:
Base-Base interactions energy: -126.093
where: short stacking energy: -58.412
Base-Backbone interact. energy: -0.109
local terms energy: -67.627484
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -171.595765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.595765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.595765 (E_RNA)
where:
Base-Base interactions energy: -102.685
where: short stacking energy: -62.203
Base-Backbone interact. energy: -0.018
local terms energy: -68.892533
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -170.930901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.930901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.930901 (E_RNA)
where:
Base-Base interactions energy: -101.685
where: short stacking energy: -48.810
Base-Backbone interact. energy: -0.208
local terms energy: -69.038171
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -91.332152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.332152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.332152 (E_RNA)
where:
Base-Base interactions energy: -46.281
where: short stacking energy: -32.362
Base-Backbone interact. energy: -0.037
local terms energy: -45.014522
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -100.711994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.711994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.711994 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.009
local terms energy: -64.057709
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -96.327518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.327518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.327518 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -30.069
Base-Backbone interact. energy: -0.262
local terms energy: -57.335223
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -87.649364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.649364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.649364 (E_RNA)
where:
Base-Base interactions energy: -32.991
where: short stacking energy: -32.991
Base-Backbone interact. energy: -0.147
local terms energy: -54.511045
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -5.099
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: 332
Temperature: 1.350000
Total energy: -85.029368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.029368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.029368 (E_RNA)
where:
Base-Base interactions energy: -32.634
where: short stacking energy: -21.890
Base-Backbone interact. energy: -0.072
local terms energy: -52.322907
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -204.752824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.752824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.752824 (E_RNA)
where:
Base-Base interactions energy: -127.841
where: short stacking energy: -70.553
Base-Backbone interact. energy: -2.785
local terms energy: -74.126396
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -18.905
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: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -196.997061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.997061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.997061 (E_RNA)
where:
Base-Base interactions energy: -128.785
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.314
local terms energy: -67.898226
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -9.857
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: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -173.440856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.440856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.440856 (E_RNA)
where:
Base-Base interactions energy: -106.912
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.009
local terms energy: -66.520301
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -13.303
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: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -173.275278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.275278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.275278 (E_RNA)
where:
Base-Base interactions energy: -105.246
where: short stacking energy: -62.264
Base-Backbone interact. energy: -0.375
local terms energy: -67.654349
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -173.681197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.681197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.681197 (E_RNA)
where:
Base-Base interactions energy: -107.550
where: short stacking energy: -56.518
Base-Backbone interact. energy: -0.109
local terms energy: -66.022477
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -13.739
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: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -88.550474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.550474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.550474 (E_RNA)
where:
Base-Base interactions energy: -45.214
where: short stacking energy: -43.290
Base-Backbone interact. energy: -1.015
local terms energy: -42.321257
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -3.691
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: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -119.777836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.777836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.777836 (E_RNA)
where:
Base-Base interactions energy: -66.232
where: short stacking energy: -36.790
Base-Backbone interact. energy: 0.140
local terms energy: -53.685901
where:
bonds (distance) C4'-P energy: -5.763
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -6.946
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: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -103.273404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.273404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.273404 (E_RNA)
where:
Base-Base interactions energy: -55.142
where: short stacking energy: -38.161
Base-Backbone interact. energy: -0.011
local terms energy: -48.120358
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -8.660
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: 333
Temperature: 1.300000
Total energy: -83.885721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.885721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.885721 (E_RNA)
where:
Base-Base interactions energy: -26.587
where: short stacking energy: -24.039
Base-Backbone interact. energy: -0.130
local terms energy: -57.168338
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.910
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: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -78.552383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.552383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.552383 (E_RNA)
where:
Base-Base interactions energy: -24.516
where: short stacking energy: -24.247
Base-Backbone interact. energy: -0.161
local terms energy: -53.875175
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: 0.167
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: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -193.275034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.275034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.275034 (E_RNA)
where:
Base-Base interactions energy: -122.985
where: short stacking energy: -66.282
Base-Backbone interact. energy: -0.029
local terms energy: -70.260864
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -191.965029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.965029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.965029 (E_RNA)
where:
Base-Base interactions energy: -122.217
where: short stacking energy: -53.538
Base-Backbone interact. energy: -0.334
local terms energy: -69.414196
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -179.421893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.421893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.421893 (E_RNA)
where:
Base-Base interactions energy: -113.417
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.000
local terms energy: -66.004541
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -190.831208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.831208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.831208 (E_RNA)
where:
Base-Base interactions energy: -116.512
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.597
local terms energy: -73.721608
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -167.374906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.374906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.374906 (E_RNA)
where:
Base-Base interactions energy: -95.566
where: short stacking energy: -53.231
Base-Backbone interact. energy: -0.008
local terms energy: -71.800241
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -160.834673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.834673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.834673 (E_RNA)
where:
Base-Base interactions energy: -98.355
where: short stacking energy: -49.457
Base-Backbone interact. energy: 0.024
local terms energy: -62.504368
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -6.825
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: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -98.610557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.610557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.610557 (E_RNA)
where:
Base-Base interactions energy: -43.725
where: short stacking energy: -36.692
Base-Backbone interact. energy: -0.368
local terms energy: -54.518198
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -93.514676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.514676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.514676 (E_RNA)
where:
Base-Base interactions energy: -43.482
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.460
local terms energy: -49.572587
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -84.224724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.224724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.224724 (E_RNA)
where:
Base-Base interactions energy: -32.058
where: short stacking energy: -32.058
Base-Backbone interact. energy: -0.039
local terms energy: -52.127760
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -88.651073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.651073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.651073 (E_RNA)
where:
Base-Base interactions energy: -35.257
where: short stacking energy: -34.627
Base-Backbone interact. energy: 0.718
local terms energy: -54.111634
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -198.440375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.440375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.440375 (E_RNA)
where:
Base-Base interactions energy: -118.878
where: short stacking energy: -66.155
Base-Backbone interact. energy: -0.071
local terms energy: -79.490820
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -9.535
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: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -191.893389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.893389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.893389 (E_RNA)
where:
Base-Base interactions energy: -115.385
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.035
local terms energy: -76.473546
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -175.174802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.174802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.174802 (E_RNA)
where:
Base-Base interactions energy: -105.023
where: short stacking energy: -56.191
Base-Backbone interact. energy: -0.036
local terms energy: -70.115200
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -176.945517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.945517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.945517 (E_RNA)
where:
Base-Base interactions energy: -109.627
where: short stacking energy: -56.006
Base-Backbone interact. energy: -0.042
local terms energy: -67.276061
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -10.812
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: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -183.236550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.236550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.236550 (E_RNA)
where:
Base-Base interactions energy: -119.389
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.201
local terms energy: -63.646259
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -3.437
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: 335
Temperature: 1.150000
Total energy: -158.296261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.296261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.296261 (E_RNA)
where:
Base-Base interactions energy: -100.293
where: short stacking energy: -53.209
Base-Backbone interact. energy: -0.243
local terms energy: -57.759889
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -83.432750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.432750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.432750 (E_RNA)
where:
Base-Base interactions energy: -39.690
where: short stacking energy: -23.346
Base-Backbone interact. energy: -0.739
local terms energy: -43.003471
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: 3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -97.996453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.996453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.996453 (E_RNA)
where:
Base-Base interactions energy: -44.179
where: short stacking energy: -42.054
Base-Backbone interact. energy: -0.236
local terms energy: -53.581366
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -4.623
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: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -90.080598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.080598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.080598 (E_RNA)
where:
Base-Base interactions energy: -38.477
where: short stacking energy: -38.477
Base-Backbone interact. energy: -0.002
local terms energy: -51.601654
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -79.518957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.518957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.518957 (E_RNA)
where:
Base-Base interactions energy: -25.600
where: short stacking energy: -23.499
Base-Backbone interact. energy: -0.062
local terms energy: -53.856686
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -193.114711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.114711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.114711 (E_RNA)
where:
Base-Base interactions energy: -115.743
where: short stacking energy: -68.940
Base-Backbone interact. energy: -0.062
local terms energy: -77.310085
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -188.438090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.438090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.438090 (E_RNA)
where:
Base-Base interactions energy: -121.343
where: short stacking energy: -57.510
Base-Backbone interact. energy: 0.505
local terms energy: -67.600545
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -14.306
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: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -167.526706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.526706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.526706 (E_RNA)
where:
Base-Base interactions energy: -101.827
where: short stacking energy: -53.778
Base-Backbone interact. energy: -0.037
local terms energy: -65.662504
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -173.158844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.158844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.158844 (E_RNA)
where:
Base-Base interactions energy: -101.135
where: short stacking energy: -61.262
Base-Backbone interact. energy: -2.245
local terms energy: -69.779084
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -159.346320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.346320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.346320 (E_RNA)
where:
Base-Base interactions energy: -99.597
where: short stacking energy: -46.445
Base-Backbone interact. energy: -0.081
local terms energy: -59.668872
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -145.259869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.259869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.259869 (E_RNA)
where:
Base-Base interactions energy: -92.001
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.314
local terms energy: -52.944897
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -92.190677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.190677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.190677 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -37.467
Base-Backbone interact. energy: -0.107
local terms energy: -54.057913
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -7.513
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: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -91.285825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.285825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.285825 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -30.075
Base-Backbone interact. energy: -0.093
local terms energy: -56.435593
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -75.977147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.977147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.977147 (E_RNA)
where:
Base-Base interactions energy: -23.245
where: short stacking energy: -21.001
Base-Backbone interact. energy: -0.412
local terms energy: -52.319999
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -88.491453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.491453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.491453 (E_RNA)
where:
Base-Base interactions energy: -41.724
where: short stacking energy: -35.683
Base-Backbone interact. energy: -0.087
local terms energy: -46.680124
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -190.232508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.232508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.232508 (E_RNA)
where:
Base-Base interactions energy: -109.569
where: short stacking energy: -62.191
Base-Backbone interact. energy: -0.532
local terms energy: -80.131600
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -188.946167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.946167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.946167 (E_RNA)
where:
Base-Base interactions energy: -120.524
where: short stacking energy: -60.479
Base-Backbone interact. energy: -0.071
local terms energy: -68.352040
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -175.633454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.633454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.633454 (E_RNA)
where:
Base-Base interactions energy: -106.581
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.023
local terms energy: -69.029247
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -165.936189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.936189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.936189 (E_RNA)
where:
Base-Base interactions energy: -105.960
where: short stacking energy: -51.802
Base-Backbone interact. energy: -0.288
local terms energy: -59.687882
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -9.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -169.509696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.509696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.509696 (E_RNA)
where:
Base-Base interactions energy: -102.492
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.080
local terms energy: -66.937448
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -146.452790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.452790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.452790 (E_RNA)
where:
Base-Base interactions energy: -95.237
where: short stacking energy: -48.437
Base-Backbone interact. energy: -0.100
local terms energy: -51.115028
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -12.262
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: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -88.633432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.633432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.633432 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -24.394
Base-Backbone interact. energy: -0.348
local terms energy: -54.820606
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -8.707
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: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -93.580231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.580231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.580231 (E_RNA)
where:
Base-Base interactions energy: -46.754
where: short stacking energy: -32.475
Base-Backbone interact. energy: 1.766
local terms energy: -48.591866
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -81.333385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.333385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.333385 (E_RNA)
where:
Base-Base interactions energy: -47.350
where: short stacking energy: -26.820
Base-Backbone interact. energy: -0.117
local terms energy: -33.866727
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -2.678
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -77.259739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.259739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.259739 (E_RNA)
where:
Base-Base interactions energy: -27.506
where: short stacking energy: -27.506
Base-Backbone interact. energy: -0.123
local terms energy: -49.631325
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -189.195606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.195606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.195606 (E_RNA)
where:
Base-Base interactions energy: -118.227
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.103
local terms energy: -70.865774
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -15.516
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: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -177.653949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.653949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.653949 (E_RNA)
where:
Base-Base interactions energy: -110.704
where: short stacking energy: -50.047
Base-Backbone interact. energy: -1.152
local terms energy: -65.797784
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -10.192
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: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -174.928447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.928447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.928447 (E_RNA)
where:
Base-Base interactions energy: -104.183
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.006
local terms energy: -70.739253
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -184.386215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.386215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.386215 (E_RNA)
where:
Base-Base interactions energy: -116.545
where: short stacking energy: -61.263
Base-Backbone interact. energy: -0.139
local terms energy: -67.701369
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.292
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: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -155.373696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.373696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.373696 (E_RNA)
where:
Base-Base interactions energy: -91.360
where: short stacking energy: -47.597
Base-Backbone interact. energy: -1.338
local terms energy: -62.675603
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -143.401979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.401979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.401979 (E_RNA)
where:
Base-Base interactions energy: -86.213
where: short stacking energy: -45.896
Base-Backbone interact. energy: -0.265
local terms energy: -56.923950
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -9.804
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: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -110.386759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.386759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.386759 (E_RNA)
where:
Base-Base interactions energy: -53.176
where: short stacking energy: -38.931
Base-Backbone interact. energy: -0.077
local terms energy: -57.133716
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -6.857
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: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -91.124474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.124474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.124474 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -32.922
Base-Backbone interact. energy: -0.113
local terms energy: -55.643344
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -78.132432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.132432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.132432 (E_RNA)
where:
Base-Base interactions energy: -28.943
where: short stacking energy: -24.608
Base-Backbone interact. energy: -0.255
local terms energy: -48.934457
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -7.914
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -80.265145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.265145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.265145 (E_RNA)
where:
Base-Base interactions energy: -32.173
where: short stacking energy: -26.266
Base-Backbone interact. energy: -0.604
local terms energy: -47.488110
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -1.022
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: 339
Temperature: 0.900000
Total energy: -188.875616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.875616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.875616 (E_RNA)
where:
Base-Base interactions energy: -115.583
where: short stacking energy: -63.704
Base-Backbone interact. energy: -0.463
local terms energy: -72.829807
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -183.191054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.191054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.191054 (E_RNA)
where:
Base-Base interactions energy: -106.900
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.008
local terms energy: -76.283453
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -13.515
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -190.240810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.240810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.240810 (E_RNA)
where:
Base-Base interactions energy: -114.546
where: short stacking energy: -65.160
Base-Backbone interact. energy: 0.867
local terms energy: -76.561513
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -9.992
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: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -163.041611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.041611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.041611 (E_RNA)
where:
Base-Base interactions energy: -102.797
where: short stacking energy: -44.504
Base-Backbone interact. energy: -0.019
local terms energy: -60.225995
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -5.956
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: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -155.883875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.883875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.883875 (E_RNA)
where:
Base-Base interactions energy: -96.832
where: short stacking energy: -55.079
Base-Backbone interact. energy: -0.100
local terms energy: -58.951622
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -127.523287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.523287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.523287 (E_RNA)
where:
Base-Base interactions energy: -72.189
where: short stacking energy: -39.224
Base-Backbone interact. energy: -0.617
local terms energy: -54.717115
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -7.177
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: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -93.464184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464184 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -37.510
Base-Backbone interact. energy: -1.029
local terms energy: -55.224758
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -3.280
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -98.639785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.639785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.639785 (E_RNA)
where:
Base-Base interactions energy: -48.173
where: short stacking energy: -43.119
Base-Backbone interact. energy: 3.570
local terms energy: -54.037523
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -88.756464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.756464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.756464 (E_RNA)
where:
Base-Base interactions energy: -55.875
where: short stacking energy: -31.879
Base-Backbone interact. energy: -0.249
local terms energy: -32.632940
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -2.364
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: 0.036
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: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -79.060414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.060414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.060414 (E_RNA)
where:
Base-Base interactions energy: -24.169
where: short stacking energy: -24.169
Base-Backbone interact. energy: -0.302
local terms energy: -54.588997
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -180.497438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.497438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.497438 (E_RNA)
where:
Base-Base interactions energy: -112.274
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.209
local terms energy: -68.014098
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -14.838
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: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -182.651207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.651207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.651207 (E_RNA)
where:
Base-Base interactions energy: -107.041
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.043
local terms energy: -75.566896
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -188.826390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.826390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.826390 (E_RNA)
where:
Base-Base interactions energy: -111.774
where: short stacking energy: -61.375
Base-Backbone interact. energy: 0.208
local terms energy: -77.260339
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -172.333400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.333400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.333400 (E_RNA)
where:
Base-Base interactions energy: -102.747
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.023
local terms energy: -69.563669
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -166.923631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.923631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.923631 (E_RNA)
where:
Base-Base interactions energy: -101.461
where: short stacking energy: -53.728
Base-Backbone interact. energy: -0.892
local terms energy: -64.570897
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -103.746719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.746719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.746719 (E_RNA)
where:
Base-Base interactions energy: -44.184
where: short stacking energy: -42.008
Base-Backbone interact. energy: -0.075
local terms energy: -59.487569
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -98.355123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.355123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.355123 (E_RNA)
where:
Base-Base interactions energy: -45.305
where: short stacking energy: -39.692
Base-Backbone interact. energy: 1.587
local terms energy: -54.637657
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -88.338207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.338207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.338207 (E_RNA)
where:
Base-Base interactions energy: -35.096
where: short stacking energy: -35.096
Base-Backbone interact. energy: -0.003
local terms energy: -53.239054
where:
bonds (distance) C4'-P energy: -7.737
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -78.893974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.893974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.893974 (E_RNA)
where:
Base-Base interactions energy: -32.024
where: short stacking energy: -24.361
Base-Backbone interact. energy: -0.492
local terms energy: -46.378692
where:
bonds (distance) C4'-P energy: -8.216
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -81.005823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.005823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.005823 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.022
local terms energy: -52.797147
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -7.108
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: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -187.873230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.873230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.873230 (E_RNA)
where:
Base-Base interactions energy: -123.320
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.107
local terms energy: -64.446084
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -202.551758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.551758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.551758 (E_RNA)
where:
Base-Base interactions energy: -126.425
where: short stacking energy: -75.184
Base-Backbone interact. energy: -1.075
local terms energy: -75.051569
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -21.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -170.138707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.138707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.138707 (E_RNA)
where:
Base-Base interactions energy: -110.552
where: short stacking energy: -58.371
Base-Backbone interact. energy: -0.147
local terms energy: -59.439478
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -9.515
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: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -183.255495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.255495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.255495 (E_RNA)
where:
Base-Base interactions energy: -115.869
where: short stacking energy: -66.067
Base-Backbone interact. energy: -0.262
local terms energy: -67.123820
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -165.297961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.297961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.297961 (E_RNA)
where:
Base-Base interactions energy: -102.908
where: short stacking energy: -57.063
Base-Backbone interact. energy: -0.061
local terms energy: -62.329143
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -13.102
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: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -109.651774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.651774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.651774 (E_RNA)
where:
Base-Base interactions energy: -50.933
where: short stacking energy: -33.743
Base-Backbone interact. energy: -0.141
local terms energy: -58.577336
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -96.619507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.619507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.619507 (E_RNA)
where:
Base-Base interactions energy: -40.639
where: short stacking energy: -38.137
Base-Backbone interact. energy: -0.012
local terms energy: -55.968956
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -6.512
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -81.454717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.454717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.454717 (E_RNA)
where:
Base-Base interactions energy: -28.722
where: short stacking energy: -28.408
Base-Backbone interact. energy: -0.247
local terms energy: -52.486415
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: 4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -81.208909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.208909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.208909 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -29.952
Base-Backbone interact. energy: -0.116
local terms energy: -50.308775
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -3.699
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: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -78.398804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.398804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.398804 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -23.574
Base-Backbone interact. energy: 1.074
local terms energy: -38.869300
where:
bonds (distance) C4'-P energy: -10.018
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: 3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -210.468092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.468092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.468092 (E_RNA)
where:
Base-Base interactions energy: -133.383
where: short stacking energy: -68.733
Base-Backbone interact. energy: -0.240
local terms energy: -76.845062
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -188.794338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.794338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.794338 (E_RNA)
where:
Base-Base interactions energy: -118.568
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.009
local terms energy: -70.217155
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -12.967
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: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -166.225008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.225008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.225008 (E_RNA)
where:
Base-Base interactions energy: -98.978
where: short stacking energy: -56.577
Base-Backbone interact. energy: -0.426
local terms energy: -66.821829
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -13.881
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: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -168.222158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.222158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.222158 (E_RNA)
where:
Base-Base interactions energy: -98.249
where: short stacking energy: -59.107
Base-Backbone interact. energy: -0.006
local terms energy: -69.967013
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -160.464198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.464198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.464198 (E_RNA)
where:
Base-Base interactions energy: -99.069
where: short stacking energy: -57.915
Base-Backbone interact. energy: -0.053
local terms energy: -61.342684
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -6.635
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -11.179
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: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -108.468509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.468509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.468509 (E_RNA)
where:
Base-Base interactions energy: -49.740
where: short stacking energy: -45.505
Base-Backbone interact. energy: -0.068
local terms energy: -58.660144
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -90.184992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.184992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.184992 (E_RNA)
where:
Base-Base interactions energy: -37.273
where: short stacking energy: -23.173
Base-Backbone interact. energy: 0.760
local terms energy: -53.672300
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -96.846493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.846493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.846493 (E_RNA)
where:
Base-Base interactions energy: -36.759
where: short stacking energy: -36.759
Base-Backbone interact. energy: -0.052
local terms energy: -60.035550
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -3.026
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: 342
Temperature: 1.300000
Total energy: -81.242984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.242984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.242984 (E_RNA)
where:
Base-Base interactions energy: -29.007
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.738
local terms energy: -51.498480
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -81.672935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.672935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.672935 (E_RNA)
where:
Base-Base interactions energy: -33.310
where: short stacking energy: -33.310
Base-Backbone interact. energy: -0.026
local terms energy: -48.336790
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -7.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -205.798559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.798559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.798559 (E_RNA)
where:
Base-Base interactions energy: -127.625
where: short stacking energy: -71.280
Base-Backbone interact. energy: -0.153
local terms energy: -78.020913
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -186.864038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.864038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.864038 (E_RNA)
where:
Base-Base interactions energy: -115.692
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.066
local terms energy: -71.105840
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.663
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: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -182.362569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.362569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.362569 (E_RNA)
where:
Base-Base interactions energy: -113.291
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.035
local terms energy: -69.036439
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -17.986
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: 343
Temperature: 1.050000
Total energy: -158.083814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.083814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.083814 (E_RNA)
where:
Base-Base interactions energy: -92.041
where: short stacking energy: -54.398
Base-Backbone interact. energy: -0.082
local terms energy: -65.961371
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -10.015
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: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -155.696297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.696297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.696297 (E_RNA)
where:
Base-Base interactions energy: -97.980
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.534
local terms energy: -57.181944
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -14.962
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: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -96.702481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.702481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.702481 (E_RNA)
where:
Base-Base interactions energy: -34.571
where: short stacking energy: -34.571
Base-Backbone interact. energy: -0.126
local terms energy: -62.006278
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -5.232
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: 343
Temperature: 1.200000
Total energy: -104.230249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.230249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.230249 (E_RNA)
where:
Base-Base interactions energy: -52.098
where: short stacking energy: -26.821
Base-Backbone interact. energy: -0.111
local terms energy: -52.021792
where:
bonds (distance) C4'-P energy: -5.946
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -83.359243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.359243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.359243 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -33.577
Base-Backbone interact. energy: -0.018
local terms energy: -47.406781
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -4.343
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: 9, replica: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -88.768782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.768782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.768782 (E_RNA)
where:
Base-Base interactions energy: -38.540
where: short stacking energy: -32.762
Base-Backbone interact. energy: -0.665
local terms energy: -49.563869
where:
bonds (distance) C4'-P energy: -4.494
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -10.378
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: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -85.641444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641444 (E_RNA)
where:
Base-Base interactions energy: -31.526
where: short stacking energy: -18.981
Base-Backbone interact. energy: -0.225
local terms energy: -53.889782
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -0.594
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: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -189.239173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.239173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.239173 (E_RNA)
where:
Base-Base interactions energy: -110.669
where: short stacking energy: -64.122
Base-Backbone interact. energy: -0.099
local terms energy: -78.471052
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -206.464714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.464714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.464714 (E_RNA)
where:
Base-Base interactions energy: -134.142
where: short stacking energy: -71.107
Base-Backbone interact. energy: -1.019
local terms energy: -71.304399
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -9.576
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: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -182.160454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.160454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.160454 (E_RNA)
where:
Base-Base interactions energy: -111.405
where: short stacking energy: -62.460
Base-Backbone interact. energy: -0.115
local terms energy: -70.640303
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -165.532443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.532443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.532443 (E_RNA)
where:
Base-Base interactions energy: -111.391
where: short stacking energy: -56.541
Base-Backbone interact. energy: 1.434
local terms energy: -55.575583
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -174.832242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.832242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.832242 (E_RNA)
where:
Base-Base interactions energy: -99.583
where: short stacking energy: -56.163
Base-Backbone interact. energy: -3.179
local terms energy: -72.071044
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -89.217954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.217954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.217954 (E_RNA)
where:
Base-Base interactions energy: -37.133
where: short stacking energy: -21.063
Base-Backbone interact. energy: -0.123
local terms energy: -51.962008
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -85.825844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.825844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.825844 (E_RNA)
where:
Base-Base interactions energy: -35.140
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.134
local terms energy: -50.551222
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -6.956
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -87.741473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.741473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.741473 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -35.657
Base-Backbone interact. energy: 2.373
local terms energy: -51.374793
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -4.336
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: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -109.455202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.455202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.455202 (E_RNA)
where:
Base-Base interactions energy: -57.615
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.349
local terms energy: -51.490790
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -94.665976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.665976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.665976 (E_RNA)
where:
Base-Base interactions energy: -45.408
where: short stacking energy: -36.557
Base-Backbone interact. energy: -0.131
local terms energy: -49.127441
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -198.334324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.334324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.334324 (E_RNA)
where:
Base-Base interactions energy: -121.563
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.340
local terms energy: -76.431997
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -192.730382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.730382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.730382 (E_RNA)
where:
Base-Base interactions energy: -124.649
where: short stacking energy: -71.354
Base-Backbone interact. energy: -0.033
local terms energy: -68.048156
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -186.423877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.423877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.423877 (E_RNA)
where:
Base-Base interactions energy: -114.587
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.088
local terms energy: -71.749366
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -17.486
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -165.725126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.725126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.725126 (E_RNA)
where:
Base-Base interactions energy: -99.801
where: short stacking energy: -49.594
Base-Backbone interact. energy: 0.155
local terms energy: -66.078381
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -162.465543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.465543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.465543 (E_RNA)
where:
Base-Base interactions energy: -96.581
where: short stacking energy: -49.655
Base-Backbone interact. energy: -0.167
local terms energy: -65.717434
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -99.035131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.035131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.035131 (E_RNA)
where:
Base-Base interactions energy: -44.777
where: short stacking energy: -36.696
Base-Backbone interact. energy: 0.251
local terms energy: -54.508616
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -90.764013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.764013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.764013 (E_RNA)
where:
Base-Base interactions energy: -37.047
where: short stacking energy: -37.047
Base-Backbone interact. energy: -0.152
local terms energy: -53.564845
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -89.795606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.795606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.795606 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -36.083
Base-Backbone interact. energy: -0.046
local terms energy: -53.666245
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -75.017340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.017340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.017340 (E_RNA)
where:
Base-Base interactions energy: -20.429
where: short stacking energy: -15.368
Base-Backbone interact. energy: -0.128
local terms energy: -54.460683
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: 0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -71.559047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.559047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.559047 (E_RNA)
where:
Base-Base interactions energy: -22.815
where: short stacking energy: -21.285
Base-Backbone interact. energy: -0.403
local terms energy: -48.340881
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -4.368
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: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -194.604832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.604832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.604832 (E_RNA)
where:
Base-Base interactions energy: -120.832
where: short stacking energy: -60.012
Base-Backbone interact. energy: -1.923
local terms energy: -71.850379
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -188.381213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.381213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.381213 (E_RNA)
where:
Base-Base interactions energy: -108.115
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.007
local terms energy: -80.259339
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -186.959314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.959314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.959314 (E_RNA)
where:
Base-Base interactions energy: -114.667
where: short stacking energy: -71.713
Base-Backbone interact. energy: -0.001
local terms energy: -72.290518
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -182.504986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.504986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.504986 (E_RNA)
where:
Base-Base interactions energy: -111.450
where: short stacking energy: -59.585
Base-Backbone interact. energy: -1.813
local terms energy: -69.241312
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -11.781
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: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -156.947508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.947508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.947508 (E_RNA)
where:
Base-Base interactions energy: -90.161
where: short stacking energy: -50.672
Base-Backbone interact. energy: -0.097
local terms energy: -66.689921
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -95.821293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.821293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.821293 (E_RNA)
where:
Base-Base interactions energy: -44.883
where: short stacking energy: -44.883
Base-Backbone interact. energy: 2.236
local terms energy: -53.174490
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -104.827259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.827259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.827259 (E_RNA)
where:
Base-Base interactions energy: -47.688
where: short stacking energy: -36.227
Base-Backbone interact. energy: -0.086
local terms energy: -57.053228
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -91.792053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.792053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.792053 (E_RNA)
where:
Base-Base interactions energy: -39.502
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.357
local terms energy: -51.933364
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -5.278
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: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -91.925007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.925007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.925007 (E_RNA)
where:
Base-Base interactions energy: -35.149
where: short stacking energy: -35.149
Base-Backbone interact. energy: -0.034
local terms energy: -56.741861
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.899
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: 346
Temperature: 1.350000
Total energy: -88.078912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.078912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.078912 (E_RNA)
where:
Base-Base interactions energy: -40.852
where: short stacking energy: -29.140
Base-Backbone interact. energy: -0.170
local terms energy: -47.056426
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -3.289
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: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -193.457432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457432 (E_RNA)
where:
Base-Base interactions energy: -124.222
where: short stacking energy: -55.146
Base-Backbone interact. energy: 0.080
local terms energy: -69.315123
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -174.554339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.554339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.554339 (E_RNA)
where:
Base-Base interactions energy: -102.233
where: short stacking energy: -65.282
Base-Backbone interact. energy: -1.486
local terms energy: -70.835959
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -173.438180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.438180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.438180 (E_RNA)
where:
Base-Base interactions energy: -108.231
where: short stacking energy: -51.519
Base-Backbone interact. energy: -0.094
local terms energy: -65.112515
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -10.628
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: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -187.228849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.228849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.228849 (E_RNA)
where:
Base-Base interactions energy: -117.006
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.008
local terms energy: -70.215472
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -176.770682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.770682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.770682 (E_RNA)
where:
Base-Base interactions energy: -109.112
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.318
local terms energy: -67.340281
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -98.702610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702610 (E_RNA)
where:
Base-Base interactions energy: -38.222
where: short stacking energy: -36.282
Base-Backbone interact. energy: -0.101
local terms energy: -60.378835
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -84.478545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478545 (E_RNA)
where:
Base-Base interactions energy: -33.125
where: short stacking energy: -32.049
Base-Backbone interact. energy: -0.277
local terms energy: -51.076543
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -7.483
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: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -76.741523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.741523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.741523 (E_RNA)
where:
Base-Base interactions energy: -30.321
where: short stacking energy: -26.846
Base-Backbone interact. energy: -0.258
local terms energy: -46.162768
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -6.423
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -84.796850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.796850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.796850 (E_RNA)
where:
Base-Base interactions energy: -30.414
where: short stacking energy: -28.981
Base-Backbone interact. energy: -0.021
local terms energy: -54.361922
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -6.353
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: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -86.094264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.094264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.094264 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -33.419
Base-Backbone interact. energy: 1.196
local terms energy: -53.870733
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -218.262347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.262347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.262347 (E_RNA)
where:
Base-Base interactions energy: -145.553
where: short stacking energy: -59.186
Base-Backbone interact. energy: -0.221
local terms energy: -72.488095
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -184.576061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.576061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.576061 (E_RNA)
where:
Base-Base interactions energy: -106.856
where: short stacking energy: -64.127
Base-Backbone interact. energy: -2.735
local terms energy: -74.985705
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -17.533
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: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -187.372132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.372132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.372132 (E_RNA)
where:
Base-Base interactions energy: -113.221
where: short stacking energy: -62.795
Base-Backbone interact. energy: -1.531
local terms energy: -72.620198
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -184.882903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.882903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.882903 (E_RNA)
where:
Base-Base interactions energy: -118.967
where: short stacking energy: -62.520
Base-Backbone interact. energy: 0.125
local terms energy: -66.040974
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -4.255
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: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -160.230119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.230119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.230119 (E_RNA)
where:
Base-Base interactions energy: -97.810
where: short stacking energy: -52.412
Base-Backbone interact. energy: 0.588
local terms energy: -63.008603
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -89.878121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.878121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.878121 (E_RNA)
where:
Base-Base interactions energy: -36.040
where: short stacking energy: -35.069
Base-Backbone interact. energy: -0.379
local terms energy: -53.458772
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -7.213
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -6.515
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: 348
Temperature: 1.200000
Total energy: -106.195097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.195097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.195097 (E_RNA)
where:
Base-Base interactions energy: -53.465
where: short stacking energy: -34.866
Base-Backbone interact. energy: -0.151
local terms energy: -52.578977
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -93.837013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.837013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.837013 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -35.934
Base-Backbone interact. energy: -0.212
local terms energy: -57.690421
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -88.944680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.944680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.944680 (E_RNA)
where:
Base-Base interactions energy: -30.033
where: short stacking energy: -28.830
Base-Backbone interact. energy: -0.085
local terms energy: -58.826391
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -110.839921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.839921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.839921 (E_RNA)
where:
Base-Base interactions energy: -63.738
where: short stacking energy: -32.773
Base-Backbone interact. energy: -0.240
local terms energy: -46.861415
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -9.470
flat angles P-C4'-P energy: -8.548
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: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -217.017171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.017171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.017171 (E_RNA)
where:
Base-Base interactions energy: -140.794
where: short stacking energy: -65.314
Base-Backbone interact. energy: -0.230
local terms energy: -75.993210
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -189.590617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.590617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.590617 (E_RNA)
where:
Base-Base interactions energy: -117.264
where: short stacking energy: -68.715
Base-Backbone interact. energy: -0.101
local terms energy: -72.225468
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -171.664443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.664443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.664443 (E_RNA)
where:
Base-Base interactions energy: -103.030
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.572
local terms energy: -68.062419
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.276
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: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -178.405622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.405622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.405622 (E_RNA)
where:
Base-Base interactions energy: -108.813
where: short stacking energy: -61.846
Base-Backbone interact. energy: -0.083
local terms energy: -69.509799
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -165.168339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.168339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.168339 (E_RNA)
where:
Base-Base interactions energy: -95.396
where: short stacking energy: -48.880
Base-Backbone interact. energy: -0.086
local terms energy: -69.686289
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -139.711803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.711803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.711803 (E_RNA)
where:
Base-Base interactions energy: -84.224
where: short stacking energy: -35.068
Base-Backbone interact. energy: -1.231
local terms energy: -54.257373
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -101.796759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.796759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.796759 (E_RNA)
where:
Base-Base interactions energy: -43.478
where: short stacking energy: -42.959
Base-Backbone interact. energy: -0.590
local terms energy: -57.729094
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -10.006
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -8.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -87.465504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.465504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.465504 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -30.362
Base-Backbone interact. energy: -0.092
local terms energy: -51.320025
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -95.971177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.971177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.971177 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -25.879
Base-Backbone interact. energy: -0.006
local terms energy: -54.580643
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -74.363974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.363974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.363974 (E_RNA)
where:
Base-Base interactions energy: -28.639
where: short stacking energy: -22.077
Base-Backbone interact. energy: -0.504
local terms energy: -45.221528
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: 4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -203.628909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.628909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.628909 (E_RNA)
where:
Base-Base interactions energy: -128.986
where: short stacking energy: -65.108
Base-Backbone interact. energy: -0.097
local terms energy: -74.545554
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -15.499
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: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -187.870096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.870096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.870096 (E_RNA)
where:
Base-Base interactions energy: -115.166
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.961
local terms energy: -71.742637
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -181.522910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.522910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.522910 (E_RNA)
where:
Base-Base interactions energy: -112.033
where: short stacking energy: -67.459
Base-Backbone interact. energy: 0.383
local terms energy: -69.873311
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -177.370347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.370347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.370347 (E_RNA)
where:
Base-Base interactions energy: -108.772
where: short stacking energy: -58.560
Base-Backbone interact. energy: -1.556
local terms energy: -67.041530
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -18.526
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: 5, replica: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -177.472025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.472025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.472025 (E_RNA)
where:
Base-Base interactions energy: -102.552
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.029
local terms energy: -74.890945
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -150.098505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.098505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.098505 (E_RNA)
where:
Base-Base interactions energy: -86.957
where: short stacking energy: -48.148
Base-Backbone interact. energy: 0.970
local terms energy: -64.111218
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -6.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -86.080663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.080663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.080663 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -26.559
Base-Backbone interact. energy: -1.810
local terms energy: -47.098443
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -97.361505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.361505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.361505 (E_RNA)
where:
Base-Base interactions energy: -40.981
where: short stacking energy: -34.533
Base-Backbone interact. energy: -0.082
local terms energy: -56.298885
where:
bonds (distance) C4'-P energy: -8.236
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -82.709904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.709904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.709904 (E_RNA)
where:
Base-Base interactions energy: -37.786
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.229
local terms energy: -44.695028
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -92.124200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.124200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.124200 (E_RNA)
where:
Base-Base interactions energy: -35.891
where: short stacking energy: -28.296
Base-Backbone interact. energy: 0.639
local terms energy: -56.872053
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -204.078349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.078349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.078349 (E_RNA)
where:
Base-Base interactions energy: -124.534
where: short stacking energy: -60.441
Base-Backbone interact. energy: -0.234
local terms energy: -79.309901
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -173.570599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.570599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.570599 (E_RNA)
where:
Base-Base interactions energy: -108.771
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.351
local terms energy: -64.448905
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -13.696
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: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -191.039102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.039102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.039102 (E_RNA)
where:
Base-Base interactions energy: -125.201
where: short stacking energy: -66.967
Base-Backbone interact. energy: 0.295
local terms energy: -66.133176
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -181.833701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.833701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.833701 (E_RNA)
where:
Base-Base interactions energy: -114.953
where: short stacking energy: -72.578
Base-Backbone interact. energy: -0.000
local terms energy: -66.880096
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -171.445801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.445801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.445801 (E_RNA)
where:
Base-Base interactions energy: -104.306
where: short stacking energy: -48.795
Base-Backbone interact. energy: 0.890
local terms energy: -68.029493
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -12.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -88.980648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.980648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.980648 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -25.947
Base-Backbone interact. energy: -0.325
local terms energy: -56.111008
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -141.636919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.636919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.636919 (E_RNA)
where:
Base-Base interactions energy: -83.978
where: short stacking energy: -36.749
Base-Backbone interact. energy: -0.013
local terms energy: -57.645629
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -90.501678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.501678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.501678 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.179
local terms energy: -60.311676
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -8.839
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: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -91.735195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.735195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.735195 (E_RNA)
where:
Base-Base interactions energy: -37.413
where: short stacking energy: -37.413
Base-Backbone interact. energy: -0.113
local terms energy: -54.209712
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -8.222
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: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -77.947230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.947230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.947230 (E_RNA)
where:
Base-Base interactions energy: -23.155
where: short stacking energy: -22.422
Base-Backbone interact. energy: -0.144
local terms energy: -54.648005
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -213.404418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.404418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.404418 (E_RNA)
where:
Base-Base interactions energy: -131.504
where: short stacking energy: -77.431
Base-Backbone interact. energy: -0.001
local terms energy: -81.898978
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -172.796645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.796645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.796645 (E_RNA)
where:
Base-Base interactions energy: -106.010
where: short stacking energy: -55.986
Base-Backbone interact. energy: -0.122
local terms energy: -66.664956
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -178.971021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.971021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.971021 (E_RNA)
where:
Base-Base interactions energy: -109.622
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.004
local terms energy: -69.344724
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -190.684448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.684448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.684448 (E_RNA)
where:
Base-Base interactions energy: -113.789
where: short stacking energy: -63.992
Base-Backbone interact. energy: -2.144
local terms energy: -74.750973
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -159.505100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.505100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.505100 (E_RNA)
where:
Base-Base interactions energy: -96.813
where: short stacking energy: -48.791
Base-Backbone interact. energy: -0.158
local terms energy: -62.533952
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -7.033
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -16.425
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: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -88.503757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.503757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.503757 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -32.562
Base-Backbone interact. energy: 0.007
local terms energy: -51.246178
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -11.384
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: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -140.472232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.472232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.472232 (E_RNA)
where:
Base-Base interactions energy: -79.078
where: short stacking energy: -38.443
Base-Backbone interact. energy: -0.069
local terms energy: -61.324986
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -92.138355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.138355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.138355 (E_RNA)
where:
Base-Base interactions energy: -36.542
where: short stacking energy: -28.762
Base-Backbone interact. energy: -0.277
local terms energy: -55.319763
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -88.778901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.778901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.778901 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -21.794
Base-Backbone interact. energy: -0.301
local terms energy: -48.113984
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -78.976484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.976484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.976484 (E_RNA)
where:
Base-Base interactions energy: -25.629
where: short stacking energy: -24.594
Base-Backbone interact. energy: -0.164
local terms energy: -53.183583
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -208.765090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.765090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.765090 (E_RNA)
where:
Base-Base interactions energy: -133.065
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.009
local terms energy: -75.690950
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -190.170527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.170527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.170527 (E_RNA)
where:
Base-Base interactions energy: -121.579
where: short stacking energy: -63.811
Base-Backbone interact. energy: 1.552
local terms energy: -70.143890
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.135
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: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -177.421234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.421234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.421234 (E_RNA)
where:
Base-Base interactions energy: -105.785
where: short stacking energy: -60.432
Base-Backbone interact. energy: -1.246
local terms energy: -70.390389
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -173.035582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.035582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.035582 (E_RNA)
where:
Base-Base interactions energy: -109.293
where: short stacking energy: -44.674
Base-Backbone interact. energy: -0.381
local terms energy: -63.361453
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -157.455307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.455307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.455307 (E_RNA)
where:
Base-Base interactions energy: -91.525
where: short stacking energy: -43.504
Base-Backbone interact. energy: -0.108
local terms energy: -65.821821
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -162.605895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.605895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.605895 (E_RNA)
where:
Base-Base interactions energy: -89.420
where: short stacking energy: -56.188
Base-Backbone interact. energy: -0.015
local terms energy: -73.170936
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -111.712893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.712893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.712893 (E_RNA)
where:
Base-Base interactions energy: -53.175
where: short stacking energy: -37.510
Base-Backbone interact. energy: -1.318
local terms energy: -57.220141
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -7.791
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: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -77.539675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.539675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.539675 (E_RNA)
where:
Base-Base interactions energy: -25.727
where: short stacking energy: -18.443
Base-Backbone interact. energy: -0.150
local terms energy: -51.662422
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: 2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -89.875546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.875546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.875546 (E_RNA)
where:
Base-Base interactions energy: -42.932
where: short stacking energy: -23.310
Base-Backbone interact. energy: -0.696
local terms energy: -46.247486
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: 3.888
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: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -78.892895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.892895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.892895 (E_RNA)
where:
Base-Base interactions energy: -29.530
where: short stacking energy: -29.530
Base-Backbone interact. energy: 1.619
local terms energy: -50.982117
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: 0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -208.063046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063046 (E_RNA)
where:
Base-Base interactions energy: -133.847
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.072
local terms energy: -74.144286
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -10.612
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: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -176.019824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.019824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.019824 (E_RNA)
where:
Base-Base interactions energy: -108.713
where: short stacking energy: -61.215
Base-Backbone interact. energy: -0.043
local terms energy: -67.263169
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -179.701788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.701788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.701788 (E_RNA)
where:
Base-Base interactions energy: -113.621
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.128
local terms energy: -65.952316
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -14.857
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: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -155.500982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.500982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.500982 (E_RNA)
where:
Base-Base interactions energy: -97.549
where: short stacking energy: -49.865
Base-Backbone interact. energy: -0.105
local terms energy: -57.846582
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -168.779728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.779728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.779728 (E_RNA)
where:
Base-Base interactions energy: -103.646
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.036
local terms energy: -65.097500
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -150.974936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.974936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.974936 (E_RNA)
where:
Base-Base interactions energy: -93.310
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.014
local terms energy: -57.650853
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -8.070
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -83.197357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.197357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.197357 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -27.691
Base-Backbone interact. energy: -1.098
local terms energy: -47.293031
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -83.614020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.614020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.614020 (E_RNA)
where:
Base-Base interactions energy: -28.463
where: short stacking energy: -26.651
Base-Backbone interact. energy: -0.240
local terms energy: -54.911092
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -74.881334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.881334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.881334 (E_RNA)
where:
Base-Base interactions energy: -25.102
where: short stacking energy: -24.964
Base-Backbone interact. energy: 0.738
local terms energy: -50.517332
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: 1.689
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: 354
Temperature: 1.350000
Total energy: -77.859281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.859281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.859281 (E_RNA)
where:
Base-Base interactions energy: -32.169
where: short stacking energy: -32.169
Base-Backbone interact. energy: -0.072
local terms energy: -45.618868
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -212.902211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.902211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.902211 (E_RNA)
where:
Base-Base interactions energy: -132.679
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.045
local terms energy: -80.178118
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -16.667
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: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -187.989380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.989380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.989380 (E_RNA)
where:
Base-Base interactions energy: -112.739
where: short stacking energy: -65.316
Base-Backbone interact. energy: -0.155
local terms energy: -75.095561
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -16.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -170.288539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.288539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.288539 (E_RNA)
where:
Base-Base interactions energy: -96.330
where: short stacking energy: -57.315
Base-Backbone interact. energy: -0.100
local terms energy: -73.859034
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -184.641118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.641118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.641118 (E_RNA)
where:
Base-Base interactions energy: -111.282
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.038
local terms energy: -73.320429
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -144.723708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.723708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.723708 (E_RNA)
where:
Base-Base interactions energy: -81.136
where: short stacking energy: -50.441
Base-Backbone interact. energy: -0.217
local terms energy: -63.370307
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -9.017
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: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -149.748721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.748721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.748721 (E_RNA)
where:
Base-Base interactions energy: -94.526
where: short stacking energy: -52.928
Base-Backbone interact. energy: -0.063
local terms energy: -55.160117
where:
bonds (distance) C4'-P energy: -5.836
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -9.307
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: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -96.562508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.562508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.562508 (E_RNA)
where:
Base-Base interactions energy: -42.874
where: short stacking energy: -42.874
Base-Backbone interact. energy: 0.095
local terms energy: -53.783212
where:
bonds (distance) C4'-P energy: -7.205
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -10.605
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: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -85.867302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.867302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.867302 (E_RNA)
where:
Base-Base interactions energy: -31.536
where: short stacking energy: -31.536
Base-Backbone interact. energy: 0.216
local terms energy: -54.547389
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -93.532427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.532427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.532427 (E_RNA)
where:
Base-Base interactions energy: -49.579
where: short stacking energy: -16.369
Base-Backbone interact. energy: -0.174
local terms energy: -43.779692
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: 4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -106.994749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.994749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.994749 (E_RNA)
where:
Base-Base interactions energy: -56.952
where: short stacking energy: -25.035
Base-Backbone interact. energy: -0.169
local terms energy: -49.873647
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -2.141
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: 356
Temperature: 0.900000
Total energy: -218.677713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.677713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.677713 (E_RNA)
where:
Base-Base interactions energy: -138.438
where: short stacking energy: -64.515
Base-Backbone interact. energy: -0.467
local terms energy: -79.772813
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -178.791914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.791914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.791914 (E_RNA)
where:
Base-Base interactions energy: -112.079
where: short stacking energy: -61.568
Base-Backbone interact. energy: -0.333
local terms energy: -66.379676
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -13.779
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: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -189.495283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.495283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.495283 (E_RNA)
where:
Base-Base interactions energy: -118.939
where: short stacking energy: -52.502
Base-Backbone interact. energy: -0.027
local terms energy: -70.528931
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -168.091978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.091978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.091978 (E_RNA)
where:
Base-Base interactions energy: -98.658
where: short stacking energy: -52.561
Base-Backbone interact. energy: -0.090
local terms energy: -69.343337
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -159.787496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.787496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.787496 (E_RNA)
where:
Base-Base interactions energy: -97.460
where: short stacking energy: -62.138
Base-Backbone interact. energy: -0.004
local terms energy: -62.323766
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -8.937
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -15.435
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: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -158.081041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.081041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.081041 (E_RNA)
where:
Base-Base interactions energy: -99.707
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.326
local terms energy: -58.047258
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -98.692920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.692920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.692920 (E_RNA)
where:
Base-Base interactions energy: -47.879
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.094
local terms energy: -50.719623
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -9.404
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -87.078023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.078023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.078023 (E_RNA)
where:
Base-Base interactions energy: -36.620
where: short stacking energy: -24.297
Base-Backbone interact. energy: -0.223
local terms energy: -50.234915
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -79.685270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.685270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.685270 (E_RNA)
where:
Base-Base interactions energy: -48.859
where: short stacking energy: -20.580
Base-Backbone interact. energy: -0.609
local terms energy: -30.217060
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -6.218
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -0.713
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: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -89.771663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.771663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.771663 (E_RNA)
where:
Base-Base interactions energy: -41.549
where: short stacking energy: -33.992
Base-Backbone interact. energy: -0.110
local terms energy: -48.112412
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -217.561190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.561190 (E_RNA)
where:
Base-Base interactions energy: -139.913
where: short stacking energy: -66.338
Base-Backbone interact. energy: 1.445
local terms energy: -79.092446
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -10.671
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: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -186.480555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.480555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.480555 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -69.432
Base-Backbone interact. energy: -0.724
local terms energy: -75.269910
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -173.302437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.302437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.302437 (E_RNA)
where:
Base-Base interactions energy: -108.594
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.136
local terms energy: -64.571610
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -2.897
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -173.344182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.344182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.344182 (E_RNA)
where:
Base-Base interactions energy: -104.060
where: short stacking energy: -53.952
Base-Backbone interact. energy: -0.874
local terms energy: -68.410522
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -128.032447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.032447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.032447 (E_RNA)
where:
Base-Base interactions energy: -76.371
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.852
local terms energy: -50.809943
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -144.068243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.068243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.068243 (E_RNA)
where:
Base-Base interactions energy: -85.210
where: short stacking energy: -48.480
Base-Backbone interact. energy: -0.267
local terms energy: -58.591302
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -88.876195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.876195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.876195 (E_RNA)
where:
Base-Base interactions energy: -39.140
where: short stacking energy: -32.760
Base-Backbone interact. energy: -0.310
local terms energy: -49.425748
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -91.325410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.325410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.325410 (E_RNA)
where:
Base-Base interactions energy: -37.238
where: short stacking energy: -34.821
Base-Backbone interact. energy: -0.551
local terms energy: -53.537170
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -83.523046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.523046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.523046 (E_RNA)
where:
Base-Base interactions energy: -43.458
where: short stacking energy: -32.295
Base-Backbone interact. energy: -0.340
local terms energy: -39.725153
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -6.124
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -79.881265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.881265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.881265 (E_RNA)
where:
Base-Base interactions energy: -31.076
where: short stacking energy: -31.076
Base-Backbone interact. energy: -1.200
local terms energy: -47.605128
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -215.165497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.165497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.165497 (E_RNA)
where:
Base-Base interactions energy: -142.994
where: short stacking energy: -66.200
Base-Backbone interact. energy: -0.422
local terms energy: -71.749427
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -188.428758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.428758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.428758 (E_RNA)
where:
Base-Base interactions energy: -116.600
where: short stacking energy: -61.519
Base-Backbone interact. energy: -1.761
local terms energy: -70.068211
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -203.820494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820494 (E_RNA)
where:
Base-Base interactions energy: -122.098
where: short stacking energy: -69.067
Base-Backbone interact. energy: -0.403
local terms energy: -81.319409
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -169.506961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.506961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.506961 (E_RNA)
where:
Base-Base interactions energy: -111.399
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.188
local terms energy: -57.920611
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -155.692834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.692834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.692834 (E_RNA)
where:
Base-Base interactions energy: -98.177
where: short stacking energy: -62.549
Base-Backbone interact. energy: -0.077
local terms energy: -57.438477
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -139.885393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.885393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.885393 (E_RNA)
where:
Base-Base interactions energy: -91.484
where: short stacking energy: -45.593
Base-Backbone interact. energy: 0.065
local terms energy: -48.466879
where:
bonds (distance) C4'-P energy: -7.238
bonds (distance) P-C4' energy: -6.655
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -9.053
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: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -97.291679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.291679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.291679 (E_RNA)
where:
Base-Base interactions energy: -42.045
where: short stacking energy: -43.345
Base-Backbone interact. energy: 1.030
local terms energy: -56.276665
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -80.711638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.711638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.711638 (E_RNA)
where:
Base-Base interactions energy: -33.380
where: short stacking energy: -29.946
Base-Backbone interact. energy: -0.445
local terms energy: -46.886496
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -4.267
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: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -95.947463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.947463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.947463 (E_RNA)
where:
Base-Base interactions energy: -49.332
where: short stacking energy: -28.335
Base-Backbone interact. energy: 1.366
local terms energy: -47.981522
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -70.493747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.493747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.493747 (E_RNA)
where:
Base-Base interactions energy: -28.326
where: short stacking energy: -27.903
Base-Backbone interact. energy: -0.203
local terms energy: -41.965102
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -220.204411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.204411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.204411 (E_RNA)
where:
Base-Base interactions energy: -145.851
where: short stacking energy: -66.018
Base-Backbone interact. energy: 0.464
local terms energy: -74.816885
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -14.879
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: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -202.714520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.714520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.714520 (E_RNA)
where:
Base-Base interactions energy: -124.599
where: short stacking energy: -68.047
Base-Backbone interact. energy: -0.304
local terms energy: -77.811051
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -8.270
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: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -177.730625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.730625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.730625 (E_RNA)
where:
Base-Base interactions energy: -108.659
where: short stacking energy: -53.600
Base-Backbone interact. energy: -0.312
local terms energy: -68.760188
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -165.177154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.177154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.177154 (E_RNA)
where:
Base-Base interactions energy: -107.452
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.786
local terms energy: -56.938910
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -156.642246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.642246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.642246 (E_RNA)
where:
Base-Base interactions energy: -94.727
where: short stacking energy: -45.737
Base-Backbone interact. energy: -0.254
local terms energy: -61.660898
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -8.630
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: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -162.952144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.952144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.952144 (E_RNA)
where:
Base-Base interactions energy: -96.158
where: short stacking energy: -51.455
Base-Backbone interact. energy: -0.101
local terms energy: -66.692981
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -96.570952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.570952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.570952 (E_RNA)
where:
Base-Base interactions energy: -39.268
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.179
local terms energy: -57.123318
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -86.821198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.821198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.821198 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -23.280
Base-Backbone interact. energy: -0.415
local terms energy: -52.972858
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.353
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: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -81.498479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.498479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.498479 (E_RNA)
where:
Base-Base interactions energy: -28.636
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.154
local terms energy: -52.708508
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -83.546641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.546641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.546641 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.007
local terms energy: -54.387495
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -216.854324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.854324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.854324 (E_RNA)
where:
Base-Base interactions energy: -144.460
where: short stacking energy: -66.733
Base-Backbone interact. energy: -0.329
local terms energy: -72.065583
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -201.488955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.488955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.488955 (E_RNA)
where:
Base-Base interactions energy: -123.983
where: short stacking energy: -66.642
Base-Backbone interact. energy: -0.688
local terms energy: -76.818520
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -181.746809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.746809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.746809 (E_RNA)
where:
Base-Base interactions energy: -106.177
where: short stacking energy: -51.882
Base-Backbone interact. energy: -0.690
local terms energy: -74.879713
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -188.384805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.384805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.384805 (E_RNA)
where:
Base-Base interactions energy: -115.466
where: short stacking energy: -66.837
Base-Backbone interact. energy: -0.001
local terms energy: -72.917263
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -172.286737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.286737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.286737 (E_RNA)
where:
Base-Base interactions energy: -101.862
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.049
local terms energy: -70.375159
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -8.693
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: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -158.355721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.355721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.355721 (E_RNA)
where:
Base-Base interactions energy: -92.002
where: short stacking energy: -46.845
Base-Backbone interact. energy: -0.007
local terms energy: -66.346333
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -12.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -86.850399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.850399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.850399 (E_RNA)
where:
Base-Base interactions energy: -33.406
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.084
local terms energy: -53.360652
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -7.280
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: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -86.453408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.453408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.453408 (E_RNA)
where:
Base-Base interactions energy: -24.765
where: short stacking energy: -24.765
Base-Backbone interact. energy: -0.002
local terms energy: -61.685998
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -76.680690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.680690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.680690 (E_RNA)
where:
Base-Base interactions energy: -29.228
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.167
local terms energy: -47.285702
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -8.289
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: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -81.545364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.545364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.545364 (E_RNA)
where:
Base-Base interactions energy: -24.026
where: short stacking energy: -22.796
Base-Backbone interact. energy: -0.193
local terms energy: -57.326075
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -210.912689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.912689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.912689 (E_RNA)
where:
Base-Base interactions energy: -138.204
where: short stacking energy: -63.820
Base-Backbone interact. energy: -0.003
local terms energy: -72.704863
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -17.570
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: 361
Temperature: 0.950000
Total energy: -190.309982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.309982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.309982 (E_RNA)
where:
Base-Base interactions energy: -120.697
where: short stacking energy: -69.504
Base-Backbone interact. energy: -0.178
local terms energy: -69.435309
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -194.406758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.406758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.406758 (E_RNA)
where:
Base-Base interactions energy: -121.005
where: short stacking energy: -64.644
Base-Backbone interact. energy: -0.070
local terms energy: -73.331037
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -188.848220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.848220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.848220 (E_RNA)
where:
Base-Base interactions energy: -119.772
where: short stacking energy: -62.734
Base-Backbone interact. energy: -0.023
local terms energy: -69.053206
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -171.113702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.113702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.113702 (E_RNA)
where:
Base-Base interactions energy: -92.892
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.000
local terms energy: -78.221297
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -156.982061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.982061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.982061 (E_RNA)
where:
Base-Base interactions energy: -96.993
where: short stacking energy: -53.355
Base-Backbone interact. energy: -0.175
local terms energy: -59.813314
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -97.556253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.556253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.556253 (E_RNA)
where:
Base-Base interactions energy: -39.745
where: short stacking energy: -27.024
Base-Backbone interact. energy: -0.112
local terms energy: -57.698366
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -77.695255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.695255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.695255 (E_RNA)
where:
Base-Base interactions energy: -29.943
where: short stacking energy: -28.162
Base-Backbone interact. energy: -0.201
local terms energy: -47.550951
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -72.861608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.861608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.861608 (E_RNA)
where:
Base-Base interactions energy: -22.323
where: short stacking energy: -20.644
Base-Backbone interact. energy: -0.082
local terms energy: -50.456335
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -80.423711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.423711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.423711 (E_RNA)
where:
Base-Base interactions energy: -24.202
where: short stacking energy: -24.202
Base-Backbone interact. energy: -0.078
local terms energy: -56.144261
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -7.295
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: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -223.898718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.898718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.898718 (E_RNA)
where:
Base-Base interactions energy: -146.589
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.410
local terms energy: -76.899109
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -13.295
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: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -198.267882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.267882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.267882 (E_RNA)
where:
Base-Base interactions energy: -124.791
where: short stacking energy: -71.352
Base-Backbone interact. energy: -0.002
local terms energy: -73.474861
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -12.455
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: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -189.223512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.223512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.223512 (E_RNA)
where:
Base-Base interactions energy: -114.432
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.001
local terms energy: -74.790493
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -191.980386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.980386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.980386 (E_RNA)
where:
Base-Base interactions energy: -118.644
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.002
local terms energy: -73.334004
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -137.419254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.419254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.419254 (E_RNA)
where:
Base-Base interactions energy: -80.262
where: short stacking energy: -46.519
Base-Backbone interact. energy: -0.354
local terms energy: -56.803736
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -156.667343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.667343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.667343 (E_RNA)
where:
Base-Base interactions energy: -93.569
where: short stacking energy: -50.179
Base-Backbone interact. energy: -0.113
local terms energy: -62.985522
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -100.463729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.463729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.463729 (E_RNA)
where:
Base-Base interactions energy: -46.881
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.343
local terms energy: -53.240550
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -107.027386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.027386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.027386 (E_RNA)
where:
Base-Base interactions energy: -50.595
where: short stacking energy: -38.269
Base-Backbone interact. energy: 0.938
local terms energy: -57.369854
where:
bonds (distance) C4'-P energy: -7.235
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -80.549271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.549271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.549271 (E_RNA)
where:
Base-Base interactions energy: -37.595
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.541
local terms energy: -42.413006
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -87.523486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.523486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.523486 (E_RNA)
where:
Base-Base interactions energy: -43.799
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.302
local terms energy: -43.422536
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -1.554
tors. eta vs tors. theta energy: -3.293
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: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -213.703210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.703210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.703210 (E_RNA)
where:
Base-Base interactions energy: -145.052
where: short stacking energy: -70.296
Base-Backbone interact. energy: -0.330
local terms energy: -68.320547
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -194.459335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.459335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.459335 (E_RNA)
where:
Base-Base interactions energy: -125.959
where: short stacking energy: -55.737
Base-Backbone interact. energy: -0.064
local terms energy: -68.437022
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -197.060056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.060056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.060056 (E_RNA)
where:
Base-Base interactions energy: -120.917
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.346
local terms energy: -75.797361
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -183.250856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.250856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.250856 (E_RNA)
where:
Base-Base interactions energy: -120.982
where: short stacking energy: -66.909
Base-Backbone interact. energy: -0.039
local terms energy: -62.229816
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -161.738881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.738881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.738881 (E_RNA)
where:
Base-Base interactions energy: -96.288
where: short stacking energy: -50.311
Base-Backbone interact. energy: -0.197
local terms energy: -65.253612
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -12.258
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: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -145.340547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.340547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.340547 (E_RNA)
where:
Base-Base interactions energy: -87.675
where: short stacking energy: -40.661
Base-Backbone interact. energy: -0.068
local terms energy: -57.597554
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -10.317
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: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -88.484030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484030 (E_RNA)
where:
Base-Base interactions energy: -34.978
where: short stacking energy: -34.742
Base-Backbone interact. energy: -0.085
local terms energy: -53.420815
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -88.289031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.289031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.289031 (E_RNA)
where:
Base-Base interactions energy: -32.554
where: short stacking energy: -28.220
Base-Backbone interact. energy: -0.733
local terms energy: -55.001906
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -79.728926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.728926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.728926 (E_RNA)
where:
Base-Base interactions energy: -26.315
where: short stacking energy: -26.315
Base-Backbone interact. energy: -0.163
local terms energy: -53.250904
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -82.318738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.318738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.318738 (E_RNA)
where:
Base-Base interactions energy: -34.564
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.062
local terms energy: -47.692347
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -210.487124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.487124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.487124 (E_RNA)
where:
Base-Base interactions energy: -130.760
where: short stacking energy: -70.242
Base-Backbone interact. energy: -0.006
local terms energy: -79.720990
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.920
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: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -191.238599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.238599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238599 (E_RNA)
where:
Base-Base interactions energy: -119.754
where: short stacking energy: -50.443
Base-Backbone interact. energy: -1.627
local terms energy: -69.858337
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -179.759553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.759553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.759553 (E_RNA)
where:
Base-Base interactions energy: -109.127
where: short stacking energy: -57.956
Base-Backbone interact. energy: -2.067
local terms energy: -68.565789
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -208.809291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.809291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.809291 (E_RNA)
where:
Base-Base interactions energy: -127.121
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.081
local terms energy: -81.607152
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -20.169
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: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -143.226854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.226854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.226854 (E_RNA)
where:
Base-Base interactions energy: -94.870
where: short stacking energy: -48.972
Base-Backbone interact. energy: -0.202
local terms energy: -48.154987
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -155.692828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.692828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.692828 (E_RNA)
where:
Base-Base interactions energy: -92.933
where: short stacking energy: -52.311
Base-Backbone interact. energy: 0.216
local terms energy: -62.975096
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -8.421
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: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -95.634307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.634307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.634307 (E_RNA)
where:
Base-Base interactions energy: -45.108
where: short stacking energy: -19.742
Base-Backbone interact. energy: -0.731
local terms energy: -49.795528
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: 1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -98.119905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.119905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.119905 (E_RNA)
where:
Base-Base interactions energy: -51.177
where: short stacking energy: -39.932
Base-Backbone interact. energy: -0.317
local terms energy: -46.626253
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -0.738
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: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -81.468550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.468550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.468550 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -23.644
Base-Backbone interact. energy: 0.112
local terms energy: -47.964778
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -0.940
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: 364
Temperature: 1.350000
Total energy: -77.653514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.653514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.653514 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.420
local terms energy: -49.199553
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -217.504080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.504080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.504080 (E_RNA)
where:
Base-Base interactions energy: -130.403
where: short stacking energy: -76.434
Base-Backbone interact. energy: -2.980
local terms energy: -84.121180
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -208.668843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.668843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.668843 (E_RNA)
where:
Base-Base interactions energy: -140.766
where: short stacking energy: -74.093
Base-Backbone interact. energy: 0.967
local terms energy: -68.870021
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -188.623993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.623993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.623993 (E_RNA)
where:
Base-Base interactions energy: -116.861
where: short stacking energy: -63.850
Base-Backbone interact. energy: -0.411
local terms energy: -71.352689
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -191.010830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.010830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.010830 (E_RNA)
where:
Base-Base interactions energy: -119.460
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.270
local terms energy: -71.281114
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -156.304221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.304221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.304221 (E_RNA)
where:
Base-Base interactions energy: -90.477
where: short stacking energy: -54.799
Base-Backbone interact. energy: -0.104
local terms energy: -65.723054
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -17.387
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: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -138.520867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.520867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.520867 (E_RNA)
where:
Base-Base interactions energy: -80.271
where: short stacking energy: -47.197
Base-Backbone interact. energy: 0.526
local terms energy: -58.775448
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -5.619
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: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -87.434779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.434779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.434779 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -24.027
Base-Backbone interact. energy: -0.109
local terms energy: -56.708952
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.779
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: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -87.042108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.042108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.042108 (E_RNA)
where:
Base-Base interactions energy: -44.279
where: short stacking energy: -39.958
Base-Backbone interact. energy: -0.093
local terms energy: -42.669509
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -0.145
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -81.719339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.719339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.719339 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -22.353
Base-Backbone interact. energy: 1.931
local terms energy: -49.509097
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: 2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -80.873448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.873448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.873448 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.014
local terms energy: -47.723883
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -209.402326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.402326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.402326 (E_RNA)
where:
Base-Base interactions energy: -133.635
where: short stacking energy: -73.896
Base-Backbone interact. energy: -0.003
local terms energy: -75.763961
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -204.055810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.055810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.055810 (E_RNA)
where:
Base-Base interactions energy: -123.672
where: short stacking energy: -63.015
Base-Backbone interact. energy: 0.793
local terms energy: -81.176406
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -20.299
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: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -198.530321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.530321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.530321 (E_RNA)
where:
Base-Base interactions energy: -127.141
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.518
local terms energy: -70.870711
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -12.371
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: 366
Temperature: 1.050000
Total energy: -185.658195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.658195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.658195 (E_RNA)
where:
Base-Base interactions energy: -117.020
where: short stacking energy: -67.675
Base-Backbone interact. energy: -1.793
local terms energy: -66.844613
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -147.367584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.367584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.367584 (E_RNA)
where:
Base-Base interactions energy: -91.453
where: short stacking energy: -42.923
Base-Backbone interact. energy: -1.962
local terms energy: -53.953415
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -162.002794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.002794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.002794 (E_RNA)
where:
Base-Base interactions energy: -103.894
where: short stacking energy: -55.577
Base-Backbone interact. energy: -0.044
local terms energy: -58.064622
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -11.883
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: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -97.101699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.101699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.101699 (E_RNA)
where:
Base-Base interactions energy: -50.580
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.763
local terms energy: -45.759382
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -79.884125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.884125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.884125 (E_RNA)
where:
Base-Base interactions energy: -24.189
where: short stacking energy: -23.866
Base-Backbone interact. energy: -0.056
local terms energy: -55.639627
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -94.911179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.911179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.911179 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -34.226
Base-Backbone interact. energy: -0.921
local terms energy: -47.665208
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -94.323449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.323449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.323449 (E_RNA)
where:
Base-Base interactions energy: -38.718
where: short stacking energy: -38.718
Base-Backbone interact. energy: -0.064
local terms energy: -55.541662
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -214.344015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.344015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.344015 (E_RNA)
where:
Base-Base interactions energy: -130.537
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.002
local terms energy: -83.804967
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -202.774160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.774160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.774160 (E_RNA)
where:
Base-Base interactions energy: -133.298
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.100
local terms energy: -69.376322
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -194.338663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.338663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.338663 (E_RNA)
where:
Base-Base interactions energy: -124.872
where: short stacking energy: -74.868
Base-Backbone interact. energy: -0.007
local terms energy: -69.459176
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -19.447
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: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -166.822038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.822038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.822038 (E_RNA)
where:
Base-Base interactions energy: -100.029
where: short stacking energy: -55.940
Base-Backbone interact. energy: -0.139
local terms energy: -66.653175
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -163.993406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.993406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.993406 (E_RNA)
where:
Base-Base interactions energy: -102.385
where: short stacking energy: -53.837
Base-Backbone interact. energy: -0.195
local terms energy: -61.413379
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -170.590769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.590769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.590769 (E_RNA)
where:
Base-Base interactions energy: -97.302
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.047
local terms energy: -73.242202
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -99.295282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.295282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.295282 (E_RNA)
where:
Base-Base interactions energy: -56.785
where: short stacking energy: -33.384
Base-Backbone interact. energy: -0.169
local terms energy: -42.340985
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: 4.055
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: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -96.238528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.238528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.238528 (E_RNA)
where:
Base-Base interactions energy: -47.514
where: short stacking energy: -37.330
Base-Backbone interact. energy: -0.701
local terms energy: -48.024090
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -8.212
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: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -72.830895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.830895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.830895 (E_RNA)
where:
Base-Base interactions energy: -27.113
where: short stacking energy: -21.935
Base-Backbone interact. energy: -0.012
local terms energy: -45.705592
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -78.067021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.067021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.067021 (E_RNA)
where:
Base-Base interactions energy: -35.066
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.158
local terms energy: -42.843010
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -214.337261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.337261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.337261 (E_RNA)
where:
Base-Base interactions energy: -140.889
where: short stacking energy: -60.188
Base-Backbone interact. energy: 0.369
local terms energy: -73.818003
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -210.659265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.659265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.659265 (E_RNA)
where:
Base-Base interactions energy: -141.738
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.004
local terms energy: -68.917397
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -195.391453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.391453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.391453 (E_RNA)
where:
Base-Base interactions energy: -121.480
where: short stacking energy: -72.892
Base-Backbone interact. energy: -1.259
local terms energy: -72.652721
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -22.336
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: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -182.815373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.815373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.815373 (E_RNA)
where:
Base-Base interactions energy: -109.416
where: short stacking energy: -59.136
Base-Backbone interact. energy: 0.185
local terms energy: -73.583538
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -12.035
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: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -163.956987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.956987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.956987 (E_RNA)
where:
Base-Base interactions energy: -90.536
where: short stacking energy: -51.016
Base-Backbone interact. energy: -0.414
local terms energy: -73.007166
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -15.183
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: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -156.296766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.296766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.296766 (E_RNA)
where:
Base-Base interactions energy: -95.267
where: short stacking energy: -46.000
Base-Backbone interact. energy: -0.058
local terms energy: -60.970931
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -10.532
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -95.931883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.931883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.931883 (E_RNA)
where:
Base-Base interactions energy: -41.130
where: short stacking energy: -38.857
Base-Backbone interact. energy: -0.667
local terms energy: -54.134837
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -8.198
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: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -114.642123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.642123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.642123 (E_RNA)
where:
Base-Base interactions energy: -57.623
where: short stacking energy: -37.367
Base-Backbone interact. energy: -0.380
local terms energy: -56.639290
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -88.492738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.492738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.492738 (E_RNA)
where:
Base-Base interactions energy: -38.343
where: short stacking energy: -22.047
Base-Backbone interact. energy: -0.283
local terms energy: -49.867308
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -83.690385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.690385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.690385 (E_RNA)
where:
Base-Base interactions energy: -31.442
where: short stacking energy: -25.851
Base-Backbone interact. energy: -0.569
local terms energy: -51.679527
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -211.595324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.595324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.595324 (E_RNA)
where:
Base-Base interactions energy: -133.700
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.022
local terms energy: -77.873237
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -217.501429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.501429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.501429 (E_RNA)
where:
Base-Base interactions energy: -147.318
where: short stacking energy: -63.840
Base-Backbone interact. energy: 0.623
local terms energy: -70.806868
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -186.568445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.568445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.568445 (E_RNA)
where:
Base-Base interactions energy: -113.831
where: short stacking energy: -56.663
Base-Backbone interact. energy: 0.312
local terms energy: -73.048572
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -186.790287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.790287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.790287 (E_RNA)
where:
Base-Base interactions energy: -108.828
where: short stacking energy: -61.069
Base-Backbone interact. energy: -0.437
local terms energy: -77.525420
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -120.724393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.724393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.724393 (E_RNA)
where:
Base-Base interactions energy: -59.768
where: short stacking energy: -38.741
Base-Backbone interact. energy: -0.314
local terms energy: -60.641940
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -5.823
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: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -156.493860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.493860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.493860 (E_RNA)
where:
Base-Base interactions energy: -100.713
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.201
local terms energy: -55.579463
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -88.605095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.605095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.605095 (E_RNA)
where:
Base-Base interactions energy: -32.815
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.107
local terms energy: -55.682947
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -2.090
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: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -95.173385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173385 (E_RNA)
where:
Base-Base interactions energy: -33.575
where: short stacking energy: -33.575
Base-Backbone interact. energy: -0.058
local terms energy: -61.540897
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -10.542
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: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -75.557774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.557774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.557774 (E_RNA)
where:
Base-Base interactions energy: -39.972
where: short stacking energy: -25.560
Base-Backbone interact. energy: -0.158
local terms energy: -35.428192
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -7.423
flat angles P-C4'-P energy: 1.575
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -82.967876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.967876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.967876 (E_RNA)
where:
Base-Base interactions energy: -29.431
where: short stacking energy: -25.740
Base-Backbone interact. energy: 0.288
local terms energy: -53.824777
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -5.244
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: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -210.696919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.696919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.696919 (E_RNA)
where:
Base-Base interactions energy: -140.798
where: short stacking energy: -59.902
Base-Backbone interact. energy: -0.994
local terms energy: -68.904624
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.399
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: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -203.077212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.077212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.077212 (E_RNA)
where:
Base-Base interactions energy: -132.655
where: short stacking energy: -57.702
Base-Backbone interact. energy: -0.087
local terms energy: -70.335902
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -190.907591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.907591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.907591 (E_RNA)
where:
Base-Base interactions energy: -121.111
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.855
local terms energy: -68.941139
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -18.143
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: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -190.991203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.991203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.991203 (E_RNA)
where:
Base-Base interactions energy: -121.934
where: short stacking energy: -57.754
Base-Backbone interact. energy: -0.322
local terms energy: -68.735182
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -15.189
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: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -143.548653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.548653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.548653 (E_RNA)
where:
Base-Base interactions energy: -86.927
where: short stacking energy: -40.192
Base-Backbone interact. energy: -0.077
local terms energy: -56.545623
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.783
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: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -109.705231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.705231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.705231 (E_RNA)
where:
Base-Base interactions energy: -50.205
where: short stacking energy: -33.162
Base-Backbone interact. energy: -0.007
local terms energy: -59.493270
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -8.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -101.929719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.929719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.929719 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -36.373
Base-Backbone interact. energy: 0.649
local terms energy: -56.040745
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -85.335965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.335965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.335965 (E_RNA)
where:
Base-Base interactions energy: -44.552
where: short stacking energy: -27.468
Base-Backbone interact. energy: -0.847
local terms energy: -39.936569
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -1.454
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -87.570299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.570299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.570299 (E_RNA)
where:
Base-Base interactions energy: -49.913
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.178
local terms energy: -37.479149
where:
bonds (distance) C4'-P energy: -8.062
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: 1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -77.696773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.696773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.696773 (E_RNA)
where:
Base-Base interactions energy: -34.837
where: short stacking energy: -22.011
Base-Backbone interact. energy: -0.261
local terms energy: -42.599144
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: 3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -208.136182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.136182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.136182 (E_RNA)
where:
Base-Base interactions energy: -126.433
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.037
local terms energy: -81.666763
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -11.924
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: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -190.462371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.462371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.462371 (E_RNA)
where:
Base-Base interactions energy: -112.488
where: short stacking energy: -61.584
Base-Backbone interact. energy: 0.696
local terms energy: -78.670215
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -188.974007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.974007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.974007 (E_RNA)
where:
Base-Base interactions energy: -119.702
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.006
local terms energy: -69.266140
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -175.846259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.846259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.846259 (E_RNA)
where:
Base-Base interactions energy: -108.919
where: short stacking energy: -45.581
Base-Backbone interact. energy: -0.189
local terms energy: -66.738646
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -150.999525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.999525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.999525 (E_RNA)
where:
Base-Base interactions energy: -92.860
where: short stacking energy: -47.530
Base-Backbone interact. energy: 1.256
local terms energy: -59.396058
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -94.247588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.247588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.247588 (E_RNA)
where:
Base-Base interactions energy: -40.729
where: short stacking energy: -40.729
Base-Backbone interact. energy: 0.219
local terms energy: -53.738025
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -4.730
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: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -97.268585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.268585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.268585 (E_RNA)
where:
Base-Base interactions energy: -37.733
where: short stacking energy: -31.267
Base-Backbone interact. energy: -0.134
local terms energy: -59.401820
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -104.631233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.631233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.631233 (E_RNA)
where:
Base-Base interactions energy: -54.378
where: short stacking energy: -26.622
Base-Backbone interact. energy: 2.012
local terms energy: -52.265261
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -79.956465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.956465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.956465 (E_RNA)
where:
Base-Base interactions energy: -36.031
where: short stacking energy: -24.682
Base-Backbone interact. energy: -0.138
local terms energy: -43.788007
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -90.803884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.803884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.803884 (E_RNA)
where:
Base-Base interactions energy: -47.820
where: short stacking energy: -25.244
Base-Backbone interact. energy: -0.304
local terms energy: -42.679909
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -9.901
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: 372
Temperature: 0.900000
Total energy: -215.206601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.206601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.206601 (E_RNA)
where:
Base-Base interactions energy: -137.472
where: short stacking energy: -72.773
Base-Backbone interact. energy: -0.001
local terms energy: -77.734061
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -189.595254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.595254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.595254 (E_RNA)
where:
Base-Base interactions energy: -114.934
where: short stacking energy: -68.504
Base-Backbone interact. energy: 0.106
local terms energy: -74.766871
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -197.166603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.166603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.166603 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -62.817
Base-Backbone interact. energy: -0.011
local terms energy: -73.018882
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -178.448652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.448652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.448652 (E_RNA)
where:
Base-Base interactions energy: -109.780
where: short stacking energy: -50.838
Base-Backbone interact. energy: 0.910
local terms energy: -69.578536
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -12.788
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: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -157.829813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.829813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.829813 (E_RNA)
where:
Base-Base interactions energy: -98.973
where: short stacking energy: -52.176
Base-Backbone interact. energy: -0.111
local terms energy: -58.746037
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -116.457036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.457036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.457036 (E_RNA)
where:
Base-Base interactions energy: -59.268
where: short stacking energy: -36.455
Base-Backbone interact. energy: 1.527
local terms energy: -58.716730
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -7.005
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: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -86.302836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.302836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.302836 (E_RNA)
where:
Base-Base interactions energy: -30.282
where: short stacking energy: -25.525
Base-Backbone interact. energy: -0.307
local terms energy: -55.713585
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -85.759532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.759532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.759532 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -40.322
Base-Backbone interact. energy: -0.019
local terms energy: -45.418793
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -5.986
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: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -81.627678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.627678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.627678 (E_RNA)
where:
Base-Base interactions energy: -33.979
where: short stacking energy: -23.359
Base-Backbone interact. energy: 0.490
local terms energy: -48.138566
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: 2.507
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: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -73.114914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.114914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.114914 (E_RNA)
where:
Base-Base interactions energy: -25.092
where: short stacking energy: -25.092
Base-Backbone interact. energy: 0.253
local terms energy: -48.276184
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -217.900714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.900714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.900714 (E_RNA)
where:
Base-Base interactions energy: -142.385
where: short stacking energy: -68.246
Base-Backbone interact. energy: -0.069
local terms energy: -75.446132
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -210.261779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.261779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.261779 (E_RNA)
where:
Base-Base interactions energy: -132.267
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.002
local terms energy: -77.992603
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -184.859810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.859810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.859810 (E_RNA)
where:
Base-Base interactions energy: -113.690
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.024
local terms energy: -71.146170
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -191.389832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.389832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.389832 (E_RNA)
where:
Base-Base interactions energy: -116.743
where: short stacking energy: -62.578
Base-Backbone interact. energy: -1.007
local terms energy: -73.640717
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -160.389780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.389780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.389780 (E_RNA)
where:
Base-Base interactions energy: -103.289
where: short stacking energy: -53.909
Base-Backbone interact. energy: -0.001
local terms energy: -57.100160
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -9.340
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: 373
Temperature: 1.150000
Total energy: -91.186500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.186500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.186500 (E_RNA)
where:
Base-Base interactions energy: -40.075
where: short stacking energy: -40.075
Base-Backbone interact. energy: 1.463
local terms energy: -52.573920
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -98.755469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.755469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.755469 (E_RNA)
where:
Base-Base interactions energy: -42.370
where: short stacking energy: -41.862
Base-Backbone interact. energy: -0.000
local terms energy: -56.385023
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -12.156
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: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -93.169140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.169140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.169140 (E_RNA)
where:
Base-Base interactions energy: -45.919
where: short stacking energy: -23.365
Base-Backbone interact. energy: -0.302
local terms energy: -46.947444
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -77.577865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.577865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.577865 (E_RNA)
where:
Base-Base interactions energy: -29.115
where: short stacking energy: -26.882
Base-Backbone interact. energy: -0.009
local terms energy: -48.453211
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -82.512592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.512592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.512592 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -30.361
Base-Backbone interact. energy: -0.292
local terms energy: -45.982859
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -1.553
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -213.554118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.554118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.554118 (E_RNA)
where:
Base-Base interactions energy: -139.525
where: short stacking energy: -65.187
Base-Backbone interact. energy: -0.005
local terms energy: -74.024170
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -205.592696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.592696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.592696 (E_RNA)
where:
Base-Base interactions energy: -134.439
where: short stacking energy: -61.937
Base-Backbone interact. energy: -1.481
local terms energy: -69.671985
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -184.703539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.703539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.703539 (E_RNA)
where:
Base-Base interactions energy: -111.310
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.030
local terms energy: -73.363411
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -12.209
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: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -166.953955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.953955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.953955 (E_RNA)
where:
Base-Base interactions energy: -100.606
where: short stacking energy: -47.811
Base-Backbone interact. energy: -0.461
local terms energy: -65.887154
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -11.926
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: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -174.768737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.768737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.768737 (E_RNA)
where:
Base-Base interactions energy: -103.909
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.041
local terms energy: -70.818567
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -14.685
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: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -102.654278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.654278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.654278 (E_RNA)
where:
Base-Base interactions energy: -46.623
where: short stacking energy: -42.302
Base-Backbone interact. energy: -0.848
local terms energy: -55.183321
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -7.317
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: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -147.161339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.161339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.161339 (E_RNA)
where:
Base-Base interactions energy: -85.084
where: short stacking energy: -41.254
Base-Backbone interact. energy: -0.143
local terms energy: -61.933582
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -85.158359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158359 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -28.102
Base-Backbone interact. energy: -0.267
local terms energy: -54.313802
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -82.553398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.553398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.553398 (E_RNA)
where:
Base-Base interactions energy: -37.606
where: short stacking energy: -25.241
Base-Backbone interact. energy: -0.542
local terms energy: -44.405243
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -0.455
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: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -71.527436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.527436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.527436 (E_RNA)
where:
Base-Base interactions energy: -29.124
where: short stacking energy: -29.591
Base-Backbone interact. energy: 2.939
local terms energy: -45.342331
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -215.283320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.283320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.283320 (E_RNA)
where:
Base-Base interactions energy: -139.266
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.513
local terms energy: -75.504591
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -18.565
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: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -191.957946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.957946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.957946 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -62.592
Base-Backbone interact. energy: -0.095
local terms energy: -71.791146
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -200.324853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.324853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.324853 (E_RNA)
where:
Base-Base interactions energy: -129.430
where: short stacking energy: -63.016
Base-Backbone interact. energy: -0.634
local terms energy: -70.261414
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.398
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: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -172.767531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.767531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.767531 (E_RNA)
where:
Base-Base interactions energy: -107.847
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.029
local terms energy: -64.891364
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -14.380
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: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -158.013417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.013417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.013417 (E_RNA)
where:
Base-Base interactions energy: -87.653
where: short stacking energy: -44.729
Base-Backbone interact. energy: -0.000
local terms energy: -70.360594
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -14.739
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: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -152.113716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.113716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.113716 (E_RNA)
where:
Base-Base interactions energy: -86.211
where: short stacking energy: -48.680
Base-Backbone interact. energy: -1.128
local terms energy: -64.774127
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -88.478094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.478094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.478094 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -41.210
Base-Backbone interact. energy: -0.198
local terms energy: -47.070415
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -1.115
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -95.745957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.745957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.745957 (E_RNA)
where:
Base-Base interactions energy: -44.316
where: short stacking energy: -37.675
Base-Backbone interact. energy: -0.122
local terms energy: -51.308037
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -7.832
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: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -80.859423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.859423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.859423 (E_RNA)
where:
Base-Base interactions energy: -28.288
where: short stacking energy: -22.254
Base-Backbone interact. energy: -0.113
local terms energy: -52.458306
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -73.704363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.704363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.704363 (E_RNA)
where:
Base-Base interactions energy: -26.935
where: short stacking energy: -26.935
Base-Backbone interact. energy: -0.040
local terms energy: -46.730053
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: 2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -210.724455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.724455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.724455 (E_RNA)
where:
Base-Base interactions energy: -137.911
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.035
local terms energy: -72.778886
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -188.772993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.772993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.772993 (E_RNA)
where:
Base-Base interactions energy: -111.315
where: short stacking energy: -58.834
Base-Backbone interact. energy: 0.017
local terms energy: -77.475284
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -19.282
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: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -187.945282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.945282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.945282 (E_RNA)
where:
Base-Base interactions energy: -117.305
where: short stacking energy: -71.431
Base-Backbone interact. energy: -0.001
local terms energy: -70.639455
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -195.045318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.045318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.045318 (E_RNA)
where:
Base-Base interactions energy: -127.835
where: short stacking energy: -56.102
Base-Backbone interact. energy: -0.330
local terms energy: -66.880931
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -173.920642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.920642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.920642 (E_RNA)
where:
Base-Base interactions energy: -105.769
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.048
local terms energy: -68.103348
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -148.788972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.788972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.788972 (E_RNA)
where:
Base-Base interactions energy: -84.075
where: short stacking energy: -41.609
Base-Backbone interact. energy: 0.302
local terms energy: -65.015849
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -96.403670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.403670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.403670 (E_RNA)
where:
Base-Base interactions energy: -41.888
where: short stacking energy: -39.877
Base-Backbone interact. energy: -0.011
local terms energy: -54.504372
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -7.754
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: 376
Temperature: 1.250000
Total energy: -92.687765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.687765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.687765 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -34.318
Base-Backbone interact. energy: -0.036
local terms energy: -53.385544
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -83.563047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563047 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -28.395
Base-Backbone interact. energy: -0.014
local terms energy: -55.154194
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -90.085904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.085904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.085904 (E_RNA)
where:
Base-Base interactions energy: -34.992
where: short stacking energy: -29.444
Base-Backbone interact. energy: 0.705
local terms energy: -55.798962
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -10.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -214.535938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.535938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.535938 (E_RNA)
where:
Base-Base interactions energy: -140.903
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.620
local terms energy: -73.012711
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -199.252521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.252521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.252521 (E_RNA)
where:
Base-Base interactions energy: -130.996
where: short stacking energy: -67.335
Base-Backbone interact. energy: -0.333
local terms energy: -67.924137
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -181.574322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.574322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.574322 (E_RNA)
where:
Base-Base interactions energy: -108.739
where: short stacking energy: -52.670
Base-Backbone interact. energy: 1.950
local terms energy: -74.784664
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -154.026196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.026196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.026196 (E_RNA)
where:
Base-Base interactions energy: -89.988
where: short stacking energy: -42.289
Base-Backbone interact. energy: 0.355
local terms energy: -64.392568
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -8.955
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: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -178.609391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.609391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.609391 (E_RNA)
where:
Base-Base interactions energy: -120.255
where: short stacking energy: -47.958
Base-Backbone interact. energy: -0.057
local terms energy: -58.298163
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -109.081237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.081237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.081237 (E_RNA)
where:
Base-Base interactions energy: -53.072
where: short stacking energy: -33.437
Base-Backbone interact. energy: -0.021
local terms energy: -55.988670
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -155.069240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.069240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.069240 (E_RNA)
where:
Base-Base interactions energy: -90.614
where: short stacking energy: -42.624
Base-Backbone interact. energy: 0.211
local terms energy: -64.666046
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -7.415
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: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -82.847393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.847393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.847393 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -34.339
Base-Backbone interact. energy: 2.540
local terms energy: -50.881712
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -69.617125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.617125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.617125 (E_RNA)
where:
Base-Base interactions energy: -18.261
where: short stacking energy: -15.639
Base-Backbone interact. energy: -0.232
local terms energy: -51.124218
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: 4.717
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: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -87.376130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.376130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.376130 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -27.769
Base-Backbone interact. energy: -0.576
local terms energy: -59.031045
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -6.488
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: 378
Temperature: 0.900000
Total energy: -208.284480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.284480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.284480 (E_RNA)
where:
Base-Base interactions energy: -135.000
where: short stacking energy: -65.571
Base-Backbone interact. energy: -0.018
local terms energy: -73.266499
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -212.213881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.213881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.213881 (E_RNA)
where:
Base-Base interactions energy: -132.773
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.086
local terms energy: -79.354540
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -164.290537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.290537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.290537 (E_RNA)
where:
Base-Base interactions energy: -99.810
where: short stacking energy: -52.085
Base-Backbone interact. energy: 0.357
local terms energy: -64.837326
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -184.677551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.677551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.677551 (E_RNA)
where:
Base-Base interactions energy: -111.415
where: short stacking energy: -48.924
Base-Backbone interact. energy: -0.465
local terms energy: -72.797974
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -14.434
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: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -171.144626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.144626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.144626 (E_RNA)
where:
Base-Base interactions energy: -112.228
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.097
local terms energy: -58.819544
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -135.083288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.083288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.083288 (E_RNA)
where:
Base-Base interactions energy: -69.887
where: short stacking energy: -41.963
Base-Backbone interact. energy: -0.057
local terms energy: -65.139742
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -152.922233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.922233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.922233 (E_RNA)
where:
Base-Base interactions energy: -94.382
where: short stacking energy: -49.995
Base-Backbone interact. energy: -0.121
local terms energy: -58.419567
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -11.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -105.633030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.633030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.633030 (E_RNA)
where:
Base-Base interactions energy: -44.405
where: short stacking energy: -39.160
Base-Backbone interact. energy: -0.295
local terms energy: -60.932786
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -96.630212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.630212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.630212 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.048
local terms energy: -60.815559
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -6.101
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: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -69.508183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.508183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.508183 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -31.684
Base-Backbone interact. energy: -0.033
local terms energy: -34.367645
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: 2.162
tors. eta vs tors. theta energy: -4.281
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: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -209.941708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.941708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.941708 (E_RNA)
where:
Base-Base interactions energy: -125.584
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.561
local terms energy: -83.796868
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -202.038573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.038573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.038573 (E_RNA)
where:
Base-Base interactions energy: -128.525
where: short stacking energy: -67.923
Base-Backbone interact. energy: -0.319
local terms energy: -73.194348
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -172.738443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.738443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.738443 (E_RNA)
where:
Base-Base interactions energy: -104.537
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.271
local terms energy: -67.930710
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -179.244950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.244950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.244950 (E_RNA)
where:
Base-Base interactions energy: -113.130
where: short stacking energy: -64.963
Base-Backbone interact. energy: -0.175
local terms energy: -65.940227
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -163.245074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.245074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.245074 (E_RNA)
where:
Base-Base interactions energy: -100.085
where: short stacking energy: -48.218
Base-Backbone interact. energy: 0.212
local terms energy: -63.371998
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -146.445976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.445976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.445976 (E_RNA)
where:
Base-Base interactions energy: -101.735
where: short stacking energy: -45.277
Base-Backbone interact. energy: 1.503
local terms energy: -46.213707
where:
bonds (distance) C4'-P energy: -5.682
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -153.599599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.599599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.599599 (E_RNA)
where:
Base-Base interactions energy: -98.445
where: short stacking energy: -41.167
Base-Backbone interact. energy: -0.415
local terms energy: -54.740046
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -86.442493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.442493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.442493 (E_RNA)
where:
Base-Base interactions energy: -46.297
where: short stacking energy: -15.479
Base-Backbone interact. energy: 1.680
local terms energy: -41.825618
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: 0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -83.346006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.346006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.346006 (E_RNA)
where:
Base-Base interactions energy: -32.731
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.876
local terms energy: -49.739147
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -81.383475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.383475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.383475 (E_RNA)
where:
Base-Base interactions energy: -34.164
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.172
local terms energy: -47.047214
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -206.342224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.342224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.342224 (E_RNA)
where:
Base-Base interactions energy: -132.418
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.634
local terms energy: -73.290459
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -11.296
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: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -199.043961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.043961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.043961 (E_RNA)
where:
Base-Base interactions energy: -117.593
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.013
local terms energy: -81.438402
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -11.623
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: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -174.430111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.430111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.430111 (E_RNA)
where:
Base-Base interactions energy: -104.208
where: short stacking energy: -55.373
Base-Backbone interact. energy: -0.128
local terms energy: -70.093909
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -14.308
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: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -186.542953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.542953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.542953 (E_RNA)
where:
Base-Base interactions energy: -110.413
where: short stacking energy: -57.316
Base-Backbone interact. energy: -1.151
local terms energy: -74.978479
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -13.880
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: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -153.301253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.301253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.301253 (E_RNA)
where:
Base-Base interactions energy: -82.737
where: short stacking energy: -55.923
Base-Backbone interact. energy: -1.768
local terms energy: -68.796972
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -167.225357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.225357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.225357 (E_RNA)
where:
Base-Base interactions energy: -111.005
where: short stacking energy: -55.090
Base-Backbone interact. energy: -0.132
local terms energy: -56.088902
where:
bonds (distance) C4'-P energy: -5.449
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -111.596409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.596409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.596409 (E_RNA)
where:
Base-Base interactions energy: -59.040
where: short stacking energy: -32.110
Base-Backbone interact. energy: 0.140
local terms energy: -52.695967
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -8.969
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: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -102.130824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.130824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.130824 (E_RNA)
where:
Base-Base interactions energy: -47.985
where: short stacking energy: -26.834
Base-Backbone interact. energy: -1.204
local terms energy: -52.941654
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -95.521542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.521542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.521542 (E_RNA)
where:
Base-Base interactions energy: -43.205
where: short stacking energy: -35.575
Base-Backbone interact. energy: 0.124
local terms energy: -52.440447
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -80.829124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.829124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.829124 (E_RNA)
where:
Base-Base interactions energy: -33.658
where: short stacking energy: -31.362
Base-Backbone interact. energy: -0.783
local terms energy: -46.387473
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -1.585
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: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -202.979252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.979252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.979252 (E_RNA)
where:
Base-Base interactions energy: -128.308
where: short stacking energy: -58.194
Base-Backbone interact. energy: -0.895
local terms energy: -73.776178
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -15.253
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: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -172.781685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.781685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.781685 (E_RNA)
where:
Base-Base interactions energy: -103.577
where: short stacking energy: -59.398
Base-Backbone interact. energy: -0.294
local terms energy: -68.910717
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -191.381950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.381950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.381950 (E_RNA)
where:
Base-Base interactions energy: -125.854
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.165
local terms energy: -65.362799
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -163.247683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.247683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.247683 (E_RNA)
where:
Base-Base interactions energy: -94.362
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.056
local terms energy: -68.830268
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -13.586
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: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -172.235444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.235444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.235444 (E_RNA)
where:
Base-Base interactions energy: -102.646
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.235
local terms energy: -69.355311
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -162.106283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.106283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.106283 (E_RNA)
where:
Base-Base interactions energy: -96.730
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.004
local terms energy: -65.371405
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -81.120457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.120457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.120457 (E_RNA)
where:
Base-Base interactions energy: -34.151
where: short stacking energy: -24.574
Base-Backbone interact. energy: -0.574
local terms energy: -46.395127
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -5.385
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: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -88.247727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.247727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.247727 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -28.758
Base-Backbone interact. energy: -0.697
local terms energy: -53.825265
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -12.318
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: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -118.705196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.705196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.705196 (E_RNA)
where:
Base-Base interactions energy: -75.157
where: short stacking energy: -39.671
Base-Backbone interact. energy: 0.282
local terms energy: -43.830206
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -5.003
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -68.506190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.506190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.506190 (E_RNA)
where:
Base-Base interactions energy: -26.498
where: short stacking energy: -20.177
Base-Backbone interact. energy: 1.669
local terms energy: -43.676548
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -4.669
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: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -214.358480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.358480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.358480 (E_RNA)
where:
Base-Base interactions energy: -138.733
where: short stacking energy: -66.044
Base-Backbone interact. energy: -0.161
local terms energy: -75.464433
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -17.381
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: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -167.938819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.938819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.938819 (E_RNA)
where:
Base-Base interactions energy: -101.929
where: short stacking energy: -52.336
Base-Backbone interact. energy: -0.125
local terms energy: -65.885172
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -191.589927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.589927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.589927 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.079
local terms energy: -72.865364
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -11.563
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: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -165.799296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.799296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.799296 (E_RNA)
where:
Base-Base interactions energy: -98.471
where: short stacking energy: -45.631
Base-Backbone interact. energy: 0.133
local terms energy: -67.461218
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -167.049653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.049653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.049653 (E_RNA)
where:
Base-Base interactions energy: -105.404
where: short stacking energy: -47.800
Base-Backbone interact. energy: -0.328
local terms energy: -61.317279
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -149.517108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.517108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.517108 (E_RNA)
where:
Base-Base interactions energy: -92.070
where: short stacking energy: -41.273
Base-Backbone interact. energy: -0.090
local terms energy: -57.356588
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -96.199992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.199992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.199992 (E_RNA)
where:
Base-Base interactions energy: -40.979
where: short stacking energy: -40.979
Base-Backbone interact. energy: -0.095
local terms energy: -55.126349
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -11.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -97.121340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.121340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.121340 (E_RNA)
where:
Base-Base interactions energy: -48.137
where: short stacking energy: -33.822
Base-Backbone interact. energy: -1.115
local terms energy: -47.869213
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -72.755176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.755176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.755176 (E_RNA)
where:
Base-Base interactions energy: -26.630
where: short stacking energy: -26.630
Base-Backbone interact. energy: 0.818
local terms energy: -46.943679
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -0.549
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: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -76.353714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.353714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.353714 (E_RNA)
where:
Base-Base interactions energy: -22.808
where: short stacking energy: -15.598
Base-Backbone interact. energy: -0.209
local terms energy: -53.336784
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -10.353
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -3.956
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: 383
Temperature: 0.900000
Total energy: -215.097529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.097529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.097529 (E_RNA)
where:
Base-Base interactions energy: -144.658
where: short stacking energy: -59.110
Base-Backbone interact. energy: 0.272
local terms energy: -70.711107
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -193.742355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.742355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.742355 (E_RNA)
where:
Base-Base interactions energy: -112.286
where: short stacking energy: -55.927
Base-Backbone interact. energy: -1.151
local terms energy: -80.304704
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -164.340785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.340785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.340785 (E_RNA)
where:
Base-Base interactions energy: -103.827
where: short stacking energy: -57.657
Base-Backbone interact. energy: -0.136
local terms energy: -60.378027
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -171.346412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.346412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.346412 (E_RNA)
where:
Base-Base interactions energy: -103.887
where: short stacking energy: -58.768
Base-Backbone interact. energy: -0.050
local terms energy: -67.409318
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -16.609
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: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -175.558849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.558849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.558849 (E_RNA)
where:
Base-Base interactions energy: -107.483
where: short stacking energy: -56.399
Base-Backbone interact. energy: -0.539
local terms energy: -67.537637
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -14.051
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -149.240982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.240982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.240982 (E_RNA)
where:
Base-Base interactions energy: -94.242
where: short stacking energy: -48.608
Base-Backbone interact. energy: -0.024
local terms energy: -54.974947
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -9.913
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -100.383648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.383648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.383648 (E_RNA)
where:
Base-Base interactions energy: -46.999
where: short stacking energy: -30.762
Base-Backbone interact. energy: 0.955
local terms energy: -54.339533
where:
bonds (distance) C4'-P energy: -6.416
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -8.396
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: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -102.218834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.218834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.218834 (E_RNA)
where:
Base-Base interactions energy: -47.385
where: short stacking energy: -23.292
Base-Backbone interact. energy: -0.128
local terms energy: -54.706418
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -80.207368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.207368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.207368 (E_RNA)
where:
Base-Base interactions energy: -23.213
where: short stacking energy: -20.081
Base-Backbone interact. energy: -0.163
local terms energy: -56.831249
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -85.279955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.279955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.279955 (E_RNA)
where:
Base-Base interactions energy: -38.643
where: short stacking energy: -38.307
Base-Backbone interact. energy: -0.216
local terms energy: -46.420641
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -217.215219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.215219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.215219 (E_RNA)
where:
Base-Base interactions energy: -137.733
where: short stacking energy: -76.053
Base-Backbone interact. energy: -0.001
local terms energy: -79.481085
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -20.922
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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -195.819922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.819922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.819922 (E_RNA)
where:
Base-Base interactions energy: -119.890
where: short stacking energy: -72.134
Base-Backbone interact. energy: -0.009
local terms energy: -75.921261
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -9.711
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: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -184.639244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.639244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.639244 (E_RNA)
where:
Base-Base interactions energy: -113.167
where: short stacking energy: -55.724
Base-Backbone interact. energy: -0.180
local terms energy: -71.291618
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -168.874084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.874084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.874084 (E_RNA)
where:
Base-Base interactions energy: -98.825
where: short stacking energy: -47.717
Base-Backbone interact. energy: -0.085
local terms energy: -69.964053
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -170.373212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.373212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.373212 (E_RNA)
where:
Base-Base interactions energy: -101.809
where: short stacking energy: -49.636
Base-Backbone interact. energy: -0.142
local terms energy: -68.422018
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -160.290739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.290739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.290739 (E_RNA)
where:
Base-Base interactions energy: -108.568
where: short stacking energy: -56.935
Base-Backbone interact. energy: 0.621
local terms energy: -52.343869
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -5.901
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -9.044
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: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -103.210103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.210103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.210103 (E_RNA)
where:
Base-Base interactions energy: -52.051
where: short stacking energy: -38.503
Base-Backbone interact. energy: -0.052
local terms energy: -51.106429
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -6.136
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: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -87.939764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.939764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.939764 (E_RNA)
where:
Base-Base interactions energy: -47.598
where: short stacking energy: -30.510
Base-Backbone interact. energy: -0.739
local terms energy: -39.602651
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: 1.686
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: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -74.798570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.798570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.798570 (E_RNA)
where:
Base-Base interactions energy: -25.363
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.216
local terms energy: -49.220384
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -77.778995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.778995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.778995 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -30.542
Base-Backbone interact. energy: -0.154
local terms energy: -46.546258
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -9.003
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -216.403071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.403071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.403071 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -68.176
Base-Backbone interact. energy: -0.119
local terms energy: -76.500158
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -194.895263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.895263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.895263 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -68.872
Base-Backbone interact. energy: -1.130
local terms energy: -77.844064
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -17.806
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: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -208.093229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.093229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.093229 (E_RNA)
where:
Base-Base interactions energy: -138.291
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.801
local terms energy: -69.001557
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -14.499
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: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -178.579973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.579973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.579973 (E_RNA)
where:
Base-Base interactions energy: -110.428
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.122
local terms energy: -68.029667
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -12.035
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: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -137.521368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.521368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.521368 (E_RNA)
where:
Base-Base interactions energy: -78.066
where: short stacking energy: -54.497
Base-Backbone interact. energy: 0.079
local terms energy: -59.533525
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -159.543382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.543382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.543382 (E_RNA)
where:
Base-Base interactions energy: -96.574
where: short stacking energy: -56.737
Base-Backbone interact. energy: 0.415
local terms energy: -63.384956
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -92.430213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.430213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.430213 (E_RNA)
where:
Base-Base interactions energy: -41.909
where: short stacking energy: -38.294
Base-Backbone interact. energy: -0.068
local terms energy: -50.452668
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -97.601909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.601909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.601909 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.391
local terms energy: -54.167195
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -81.589852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.589852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.589852 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -35.544
Base-Backbone interact. energy: -0.116
local terms energy: -45.929065
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -9.718
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: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -85.103706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.103706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.103706 (E_RNA)
where:
Base-Base interactions energy: -32.067
where: short stacking energy: -32.067
Base-Backbone interact. energy: 0.021
local terms energy: -53.057553
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -186.442316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.442316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.442316 (E_RNA)
where:
Base-Base interactions energy: -119.683
where: short stacking energy: -67.113
Base-Backbone interact. energy: -0.328
local terms energy: -66.431443
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -212.249489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.249489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.249489 (E_RNA)
where:
Base-Base interactions energy: -129.131
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.003
local terms energy: -83.116102
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -212.596254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.596254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.596254 (E_RNA)
where:
Base-Base interactions energy: -138.027
where: short stacking energy: -77.354
Base-Backbone interact. energy: -0.008
local terms energy: -74.561646
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -9.527
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: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -188.270629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.270629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.270629 (E_RNA)
where:
Base-Base interactions energy: -119.019
where: short stacking energy: -55.446
Base-Backbone interact. energy: -0.327
local terms energy: -68.924592
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -15.617
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: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -170.005090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.005090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.005090 (E_RNA)
where:
Base-Base interactions energy: -108.098
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.007
local terms energy: -61.900453
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -153.023687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.023687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.023687 (E_RNA)
where:
Base-Base interactions energy: -98.983
where: short stacking energy: -54.053
Base-Backbone interact. energy: -0.188
local terms energy: -53.852159
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -102.624804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.624804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.624804 (E_RNA)
where:
Base-Base interactions energy: -46.363
where: short stacking energy: -46.363
Base-Backbone interact. energy: -0.790
local terms energy: -55.471945
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -1.773
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -82.986797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.986797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.986797 (E_RNA)
where:
Base-Base interactions energy: -27.177
where: short stacking energy: -26.550
Base-Backbone interact. energy: 1.081
local terms energy: -56.891035
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -2.984
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: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -87.750851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.750851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.750851 (E_RNA)
where:
Base-Base interactions energy: -38.918
where: short stacking energy: -38.918
Base-Backbone interact. energy: -0.156
local terms energy: -48.676926
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -8.052
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -71.886096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.886096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.886096 (E_RNA)
where:
Base-Base interactions energy: -27.255
where: short stacking energy: -18.741
Base-Backbone interact. energy: 2.387
local terms energy: -47.017431
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -4.257
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: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -199.644856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.644856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.644856 (E_RNA)
where:
Base-Base interactions energy: -125.201
where: short stacking energy: -70.706
Base-Backbone interact. energy: -0.530
local terms energy: -73.913774
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.377
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: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -194.299952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.299952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.299952 (E_RNA)
where:
Base-Base interactions energy: -123.467
where: short stacking energy: -62.733
Base-Backbone interact. energy: -0.440
local terms energy: -70.393596
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -16.962
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: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -198.861372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.861372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.861372 (E_RNA)
where:
Base-Base interactions energy: -131.736
where: short stacking energy: -70.517
Base-Backbone interact. energy: -0.007
local terms energy: -67.117469
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -16.976
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: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -197.617686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.617686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.617686 (E_RNA)
where:
Base-Base interactions energy: -130.867
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.797
local terms energy: -65.953332
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -147.127657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.127657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.127657 (E_RNA)
where:
Base-Base interactions energy: -85.054
where: short stacking energy: -45.556
Base-Backbone interact. energy: -1.062
local terms energy: -61.012084
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -7.880
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: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -153.955839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.955839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.955839 (E_RNA)
where:
Base-Base interactions energy: -92.040
where: short stacking energy: -42.057
Base-Backbone interact. energy: -0.919
local terms energy: -60.996275
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -98.070066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.070066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.070066 (E_RNA)
where:
Base-Base interactions energy: -49.040
where: short stacking energy: -27.313
Base-Backbone interact. energy: -0.084
local terms energy: -48.945214
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -108.762023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.762023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.762023 (E_RNA)
where:
Base-Base interactions energy: -55.164
where: short stacking energy: -34.793
Base-Backbone interact. energy: -0.067
local terms energy: -53.531645
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -82.580562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.580562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.580562 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -25.962
Base-Backbone interact. energy: -0.983
local terms energy: -42.507051
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: 2.018
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: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -74.482355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.482355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.482355 (E_RNA)
where:
Base-Base interactions energy: -27.651
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.110
local terms energy: -46.722142
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -224.522978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.522978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.522978 (E_RNA)
where:
Base-Base interactions energy: -145.024
where: short stacking energy: -76.830
Base-Backbone interact. energy: -0.001
local terms energy: -79.498480
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -20.154
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: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -196.857249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.857249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.857249 (E_RNA)
where:
Base-Base interactions energy: -126.542
where: short stacking energy: -62.631
Base-Backbone interact. energy: -1.083
local terms energy: -69.231735
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -195.626463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.626463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.626463 (E_RNA)
where:
Base-Base interactions energy: -129.111
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.628
local terms energy: -65.887248
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -10.847
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: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -182.268185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.268185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.268185 (E_RNA)
where:
Base-Base interactions energy: -113.615
where: short stacking energy: -60.870
Base-Backbone interact. energy: -0.878
local terms energy: -67.775449
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -163.850379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.850379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.850379 (E_RNA)
where:
Base-Base interactions energy: -97.230
where: short stacking energy: -52.743
Base-Backbone interact. energy: -0.183
local terms energy: -66.438242
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -155.076417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.076417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.076417 (E_RNA)
where:
Base-Base interactions energy: -99.275
where: short stacking energy: -52.643
Base-Backbone interact. energy: -0.894
local terms energy: -54.907402
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -92.919153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919153 (E_RNA)
where:
Base-Base interactions energy: -37.530
where: short stacking energy: -37.257
Base-Backbone interact. energy: -0.061
local terms energy: -55.327674
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -92.413428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.413428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.413428 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.005
local terms energy: -55.428125
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -9.179
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: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -77.627354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.627354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.627354 (E_RNA)
where:
Base-Base interactions energy: -30.823
where: short stacking energy: -22.837
Base-Backbone interact. energy: -0.033
local terms energy: -46.771401
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -74.629786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.629786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.629786 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -29.964
Base-Backbone interact. energy: -0.263
local terms energy: -44.176307
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -223.786108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.786108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.786108 (E_RNA)
where:
Base-Base interactions energy: -139.259
where: short stacking energy: -71.501
Base-Backbone interact. energy: -0.749
local terms energy: -83.777489
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -14.314
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: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -201.526090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.526090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.526090 (E_RNA)
where:
Base-Base interactions energy: -129.405
where: short stacking energy: -62.991
Base-Backbone interact. energy: -0.003
local terms energy: -72.118434
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -8.278
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -213.689400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.689400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.689400 (E_RNA)
where:
Base-Base interactions energy: -133.170
where: short stacking energy: -67.211
Base-Backbone interact. energy: -0.030
local terms energy: -80.488876
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -21.379
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: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -169.051554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.051554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.051554 (E_RNA)
where:
Base-Base interactions energy: -105.158
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.350
local terms energy: -63.543753
where:
bonds (distance) C4'-P energy: -6.996
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -181.125947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.125947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.125947 (E_RNA)
where:
Base-Base interactions energy: -120.116
where: short stacking energy: -56.260
Base-Backbone interact. energy: -0.022
local terms energy: -60.988200
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -6.149
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: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -152.755100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.755100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.755100 (E_RNA)
where:
Base-Base interactions energy: -82.850
where: short stacking energy: -42.699
Base-Backbone interact. energy: -0.284
local terms energy: -69.620751
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -86.318103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.318103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.318103 (E_RNA)
where:
Base-Base interactions energy: -38.986
where: short stacking energy: -37.744
Base-Backbone interact. energy: -0.155
local terms energy: -47.177392
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -9.363
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: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -92.889852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.889852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.889852 (E_RNA)
where:
Base-Base interactions energy: -35.979
where: short stacking energy: -35.622
Base-Backbone interact. energy: -0.023
local terms energy: -56.888696
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -82.119353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.119353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.119353 (E_RNA)
where:
Base-Base interactions energy: -25.137
where: short stacking energy: -25.137
Base-Backbone interact. energy: -0.016
local terms energy: -56.966088
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -83.669500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.669500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.669500 (E_RNA)
where:
Base-Base interactions energy: -38.127
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.194
local terms energy: -45.348178
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -223.979246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.979246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.979246 (E_RNA)
where:
Base-Base interactions energy: -146.802
where: short stacking energy: -78.372
Base-Backbone interact. energy: -0.028
local terms energy: -77.148774
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -14.976
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: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -196.791285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.791285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.791285 (E_RNA)
where:
Base-Base interactions energy: -125.183
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.083
local terms energy: -71.525756
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -203.978742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.978742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.978742 (E_RNA)
where:
Base-Base interactions energy: -134.439
where: short stacking energy: -64.518
Base-Backbone interact. energy: -0.308
local terms energy: -69.231858
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -171.230927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.230927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.230927 (E_RNA)
where:
Base-Base interactions energy: -106.309
where: short stacking energy: -60.326
Base-Backbone interact. energy: -0.001
local terms energy: -64.921581
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -153.090029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.090029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.090029 (E_RNA)
where:
Base-Base interactions energy: -89.869
where: short stacking energy: -46.157
Base-Backbone interact. energy: -0.047
local terms energy: -63.174329
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -9.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -153.147826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.147826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.147826 (E_RNA)
where:
Base-Base interactions energy: -94.992
where: short stacking energy: -48.550
Base-Backbone interact. energy: -0.315
local terms energy: -57.840226
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -91.553349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.553349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.553349 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -33.128
Base-Backbone interact. energy: -0.003
local terms energy: -58.422025
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -85.349384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.349384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.349384 (E_RNA)
where:
Base-Base interactions energy: -41.313
where: short stacking energy: -22.372
Base-Backbone interact. energy: -0.992
local terms energy: -43.044052
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: 1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -84.930123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930123 (E_RNA)
where:
Base-Base interactions energy: -38.120
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.240
local terms energy: -46.570152
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -2.841
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: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -77.637243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.637243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.637243 (E_RNA)
where:
Base-Base interactions energy: -23.569
where: short stacking energy: -23.569
Base-Backbone interact. energy: 0.423
local terms energy: -54.490762
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -226.081920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.081920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.081920 (E_RNA)
where:
Base-Base interactions energy: -141.994
where: short stacking energy: -71.531
Base-Backbone interact. energy: -0.040
local terms energy: -84.048772
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -197.588966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.588966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.588966 (E_RNA)
where:
Base-Base interactions energy: -122.275
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.287
local terms energy: -75.027057
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -188.887201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.887201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.887201 (E_RNA)
where:
Base-Base interactions energy: -119.801
where: short stacking energy: -68.246
Base-Backbone interact. energy: -0.167
local terms energy: -68.918562
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -151.943060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.943060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.943060 (E_RNA)
where:
Base-Base interactions energy: -85.410
where: short stacking energy: -42.921
Base-Backbone interact. energy: -0.396
local terms energy: -66.136972
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -167.069446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.069446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.069446 (E_RNA)
where:
Base-Base interactions energy: -104.021
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.507
local terms energy: -62.541284
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -178.594173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.594173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.594173 (E_RNA)
where:
Base-Base interactions energy: -111.752
where: short stacking energy: -57.773
Base-Backbone interact. energy: -0.206
local terms energy: -66.636734
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -91.872620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.872620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.872620 (E_RNA)
where:
Base-Base interactions energy: -36.117
where: short stacking energy: -33.719
Base-Backbone interact. energy: 0.994
local terms energy: -56.749774
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -8.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -97.898659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.898659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.898659 (E_RNA)
where:
Base-Base interactions energy: -47.976
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.261
local terms energy: -49.662018
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -86.714413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.714413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.714413 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -20.546
Base-Backbone interact. energy: -0.135
local terms energy: -54.095783
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -87.839154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.839154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.839154 (E_RNA)
where:
Base-Base interactions energy: -37.954
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.061
local terms energy: -49.823981
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -1.250
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: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -216.630262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.630262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.630262 (E_RNA)
where:
Base-Base interactions energy: -136.363
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.365
local terms energy: -79.901886
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -23.349
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: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -206.337109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.337109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.337109 (E_RNA)
where:
Base-Base interactions energy: -126.964
where: short stacking energy: -70.688
Base-Backbone interact. energy: -0.305
local terms energy: -79.067885
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -176.780480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.780480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.780480 (E_RNA)
where:
Base-Base interactions energy: -105.405
where: short stacking energy: -66.686
Base-Backbone interact. energy: -0.129
local terms energy: -71.246181
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -19.752
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: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -171.974780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.974780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.974780 (E_RNA)
where:
Base-Base interactions energy: -104.394
where: short stacking energy: -60.336
Base-Backbone interact. energy: -3.012
local terms energy: -64.568538
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -175.484565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.484565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.484565 (E_RNA)
where:
Base-Base interactions energy: -110.764
where: short stacking energy: -55.053
Base-Backbone interact. energy: -0.014
local terms energy: -64.705787
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -166.683352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.683352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.683352 (E_RNA)
where:
Base-Base interactions energy: -106.318
where: short stacking energy: -56.015
Base-Backbone interact. energy: -0.379
local terms energy: -59.986391
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -100.270277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.270277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.270277 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -40.934
Base-Backbone interact. energy: -0.667
local terms energy: -57.478747
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -120.359427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.359427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.359427 (E_RNA)
where:
Base-Base interactions energy: -67.340
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.174
local terms energy: -52.845840
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -77.051992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.051992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.051992 (E_RNA)
where:
Base-Base interactions energy: -26.377
where: short stacking energy: -21.971
Base-Backbone interact. energy: -0.137
local terms energy: -50.538147
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -72.503272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.503272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.503272 (E_RNA)
where:
Base-Base interactions energy: -29.966
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.171
local terms energy: -42.365886
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -1.620
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -216.837564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.837564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.837564 (E_RNA)
where:
Base-Base interactions energy: -141.499
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.412
local terms energy: -74.926309
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.939
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: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -205.673808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.673808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.673808 (E_RNA)
where:
Base-Base interactions energy: -126.735
where: short stacking energy: -68.406
Base-Backbone interact. energy: -0.113
local terms energy: -78.825583
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -181.006249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.006249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.006249 (E_RNA)
where:
Base-Base interactions energy: -111.508
where: short stacking energy: -58.041
Base-Backbone interact. energy: -0.086
local terms energy: -69.412350
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -15.417
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: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -205.776744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.776744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.776744 (E_RNA)
where:
Base-Base interactions energy: -134.336
where: short stacking energy: -65.953
Base-Backbone interact. energy: -0.125
local terms energy: -71.315518
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -169.935867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.935867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.935867 (E_RNA)
where:
Base-Base interactions energy: -103.553
where: short stacking energy: -49.348
Base-Backbone interact. energy: -0.009
local terms energy: -66.374262
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -149.539553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.539553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.539553 (E_RNA)
where:
Base-Base interactions energy: -92.290
where: short stacking energy: -48.018
Base-Backbone interact. energy: -0.087
local terms energy: -57.163298
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -8.690
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: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -93.708252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.708252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.708252 (E_RNA)
where:
Base-Base interactions energy: -45.855
where: short stacking energy: -33.922
Base-Backbone interact. energy: 0.999
local terms energy: -48.852987
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -132.094895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.094895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.094895 (E_RNA)
where:
Base-Base interactions energy: -73.338
where: short stacking energy: -44.823
Base-Backbone interact. energy: 1.287
local terms energy: -60.044085
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -9.921
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: 393
Temperature: 1.300000
Total energy: -83.644140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.644140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.644140 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.605
local terms energy: -52.416915
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -82.223402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.223402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.223402 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -32.344
Base-Backbone interact. energy: -0.069
local terms energy: -49.811164
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -7.078
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -5.405
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: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -223.791244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.791244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.791244 (E_RNA)
where:
Base-Base interactions energy: -141.116
where: short stacking energy: -73.643
Base-Backbone interact. energy: -1.518
local terms energy: -81.156680
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -205.741809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.741809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.741809 (E_RNA)
where:
Base-Base interactions energy: -129.862
where: short stacking energy: -70.401
Base-Backbone interact. energy: -0.640
local terms energy: -75.239101
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -11.207
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: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -196.004760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.004760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.004760 (E_RNA)
where:
Base-Base interactions energy: -123.209
where: short stacking energy: -61.943
Base-Backbone interact. energy: 0.018
local terms energy: -72.814133
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -20.783
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: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -161.344067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.344067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.344067 (E_RNA)
where:
Base-Base interactions energy: -89.737
where: short stacking energy: -56.098
Base-Backbone interact. energy: 0.363
local terms energy: -71.970267
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -162.033836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.033836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.033836 (E_RNA)
where:
Base-Base interactions energy: -90.185
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.141
local terms energy: -71.707822
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -142.232546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.232546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.232546 (E_RNA)
where:
Base-Base interactions energy: -81.303
where: short stacking energy: -40.064
Base-Backbone interact. energy: -0.036
local terms energy: -60.893045
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -94.253014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.253014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.253014 (E_RNA)
where:
Base-Base interactions energy: -46.174
where: short stacking energy: -35.041
Base-Backbone interact. energy: 1.023
local terms energy: -49.102198
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -137.909087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.909087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.909087 (E_RNA)
where:
Base-Base interactions energy: -80.818
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.060
local terms energy: -57.030728
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -6.846
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -78.588351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.588351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.588351 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -23.155
Base-Backbone interact. energy: -0.657
local terms energy: -43.791561
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.892
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: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -84.686070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.686070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.686070 (E_RNA)
where:
Base-Base interactions energy: -34.472
where: short stacking energy: -29.563
Base-Backbone interact. energy: -0.292
local terms energy: -49.921831
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -0.122
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: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -217.394736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.394736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.394736 (E_RNA)
where:
Base-Base interactions energy: -141.541
where: short stacking energy: -69.437
Base-Backbone interact. energy: -0.010
local terms energy: -75.843401
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -11.373
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: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -216.365904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.365904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.365904 (E_RNA)
where:
Base-Base interactions energy: -138.299
where: short stacking energy: -67.553
Base-Backbone interact. energy: -0.088
local terms energy: -77.978985
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -192.932620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.932620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.932620 (E_RNA)
where:
Base-Base interactions energy: -121.584
where: short stacking energy: -52.107
Base-Backbone interact. energy: -0.090
local terms energy: -71.258794
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -16.373
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: 395
Temperature: 1.050000
Total energy: -180.129112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.129112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.129112 (E_RNA)
where:
Base-Base interactions energy: -111.683
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.430
local terms energy: -68.016561
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -165.772265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.772265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.772265 (E_RNA)
where:
Base-Base interactions energy: -99.958
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.230
local terms energy: -65.584505
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -7.341
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: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -128.271453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.271453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.271453 (E_RNA)
where:
Base-Base interactions energy: -75.454
where: short stacking energy: -36.503
Base-Backbone interact. energy: -0.065
local terms energy: -52.752051
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -7.283
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -91.896987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.896987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.896987 (E_RNA)
where:
Base-Base interactions energy: -33.952
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.793
local terms energy: -57.152501
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -138.200509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.200509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.200509 (E_RNA)
where:
Base-Base interactions energy: -82.996
where: short stacking energy: -48.348
Base-Backbone interact. energy: -0.220
local terms energy: -54.984874
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -86.163480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.163480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.163480 (E_RNA)
where:
Base-Base interactions energy: -44.724
where: short stacking energy: -28.001
Base-Backbone interact. energy: -1.468
local terms energy: -39.970848
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -80.772827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.772827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.772827 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -21.906
Base-Backbone interact. energy: -0.091
local terms energy: -44.646752
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: 1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -218.932583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.932583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.932583 (E_RNA)
where:
Base-Base interactions energy: -140.504
where: short stacking energy: -73.706
Base-Backbone interact. energy: -0.124
local terms energy: -78.304745
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -215.447817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.447817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.447817 (E_RNA)
where:
Base-Base interactions energy: -141.023
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.041
local terms energy: -74.383441
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -205.530638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.530638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.530638 (E_RNA)
where:
Base-Base interactions energy: -133.077
where: short stacking energy: -74.763
Base-Backbone interact. energy: -0.241
local terms energy: -72.213046
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -21.226
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: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -176.647146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.647146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.647146 (E_RNA)
where:
Base-Base interactions energy: -110.875
where: short stacking energy: -59.730
Base-Backbone interact. energy: -0.084
local terms energy: -65.687790
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -166.754527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.754527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.754527 (E_RNA)
where:
Base-Base interactions energy: -98.382
where: short stacking energy: -46.324
Base-Backbone interact. energy: -1.186
local terms energy: -67.186309
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -127.048017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.048017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.048017 (E_RNA)
where:
Base-Base interactions energy: -66.298
where: short stacking energy: -39.666
Base-Backbone interact. energy: -0.119
local terms energy: -60.631619
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -9.897
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: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -126.955135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.955135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.955135 (E_RNA)
where:
Base-Base interactions energy: -71.853
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.198
local terms energy: -54.904200
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -99.791103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.791103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.791103 (E_RNA)
where:
Base-Base interactions energy: -44.673
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.595
local terms energy: -54.522799
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -76.449383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.449383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.449383 (E_RNA)
where:
Base-Base interactions energy: -30.898
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.078
local terms energy: -45.473168
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -91.329412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.329412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.329412 (E_RNA)
where:
Base-Base interactions energy: -38.226
where: short stacking energy: -22.470
Base-Backbone interact. energy: 0.969
local terms energy: -54.072260
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -217.984795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.984795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.984795 (E_RNA)
where:
Base-Base interactions energy: -137.772
where: short stacking energy: -72.163
Base-Backbone interact. energy: -0.018
local terms energy: -80.193959
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -210.449908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.449908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.449908 (E_RNA)
where:
Base-Base interactions energy: -143.937
where: short stacking energy: -67.120
Base-Backbone interact. energy: -0.002
local terms energy: -66.511296
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -9.501
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: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -199.404047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.404047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.404047 (E_RNA)
where:
Base-Base interactions energy: -125.938
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.539
local terms energy: -72.926405
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -169.097028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.097028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.097028 (E_RNA)
where:
Base-Base interactions energy: -95.553
where: short stacking energy: -58.618
Base-Backbone interact. energy: 0.922
local terms energy: -74.466764
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -152.289590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.289590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.289590 (E_RNA)
where:
Base-Base interactions energy: -93.364
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.597
local terms energy: -58.327745
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -94.736055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.736055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.736055 (E_RNA)
where:
Base-Base interactions energy: -41.097
where: short stacking energy: -38.663
Base-Backbone interact. energy: -0.121
local terms energy: -53.517952
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -8.468
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: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -156.489866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.489866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.489866 (E_RNA)
where:
Base-Base interactions energy: -99.023
where: short stacking energy: -50.380
Base-Backbone interact. energy: -0.025
local terms energy: -57.441763
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -92.383883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.383883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.383883 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -29.261
Base-Backbone interact. energy: -0.727
local terms energy: -53.941129
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -5.060
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: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -83.768737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.768737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.768737 (E_RNA)
where:
Base-Base interactions energy: -34.478
where: short stacking energy: -29.954
Base-Backbone interact. energy: -0.158
local terms energy: -49.132335
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -1.995
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: 397
Temperature: 1.350000
Total energy: -84.170887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.170887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.170887 (E_RNA)
where:
Base-Base interactions energy: -34.731
where: short stacking energy: -34.731
Base-Backbone interact. energy: -0.158
local terms energy: -49.282273
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -2.612
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: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -219.632328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.632328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.632328 (E_RNA)
where:
Base-Base interactions energy: -139.617
where: short stacking energy: -71.993
Base-Backbone interact. energy: -0.021
local terms energy: -79.994086
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -16.811
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: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -196.930399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.930399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.930399 (E_RNA)
where:
Base-Base interactions energy: -128.282
where: short stacking energy: -64.291
Base-Backbone interact. energy: -0.007
local terms energy: -68.641926
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -6.338
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: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -184.922462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.922462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.922462 (E_RNA)
where:
Base-Base interactions energy: -114.104
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.136
local terms energy: -70.682919
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -203.606561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.606561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.606561 (E_RNA)
where:
Base-Base interactions energy: -124.589
where: short stacking energy: -70.912
Base-Backbone interact. energy: -0.253
local terms energy: -78.764175
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -160.631769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.631769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.631769 (E_RNA)
where:
Base-Base interactions energy: -97.721
where: short stacking energy: -57.700
Base-Backbone interact. energy: -0.004
local terms energy: -62.906916
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -93.593514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.593514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.593514 (E_RNA)
where:
Base-Base interactions energy: -47.699
where: short stacking energy: -20.123
Base-Backbone interact. energy: 0.920
local terms energy: -46.814835
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -154.350327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.350327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.350327 (E_RNA)
where:
Base-Base interactions energy: -98.557
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.219
local terms energy: -55.574196
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -87.011395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011395 (E_RNA)
where:
Base-Base interactions energy: -35.382
where: short stacking energy: -35.382
Base-Backbone interact. energy: 1.027
local terms energy: -52.656277
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -83.326323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.326323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.326323 (E_RNA)
where:
Base-Base interactions energy: -35.160
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.187
local terms energy: -47.978904
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -87.453505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.453505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.453505 (E_RNA)
where:
Base-Base interactions energy: -31.628
where: short stacking energy: -25.845
Base-Backbone interact. energy: 0.693
local terms energy: -56.519103
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -208.066449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.066449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.066449 (E_RNA)
where:
Base-Base interactions energy: -129.274
where: short stacking energy: -67.039
Base-Backbone interact. energy: -0.046
local terms energy: -78.745987
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.834
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: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -211.926961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.926961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.926961 (E_RNA)
where:
Base-Base interactions energy: -128.979
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.631
local terms energy: -82.317626
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -20.314
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: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -173.383581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.383581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.383581 (E_RNA)
where:
Base-Base interactions energy: -110.069
where: short stacking energy: -55.677
Base-Backbone interact. energy: -0.144
local terms energy: -63.170060
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -11.728
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: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -187.196596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.196596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.196596 (E_RNA)
where:
Base-Base interactions energy: -122.499
where: short stacking energy: -73.867
Base-Backbone interact. energy: -1.185
local terms energy: -63.512587
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -9.926
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -183.353096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.353096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.353096 (E_RNA)
where:
Base-Base interactions energy: -114.270
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.001
local terms energy: -69.081370
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -155.253358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.253358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.253358 (E_RNA)
where:
Base-Base interactions energy: -98.355
where: short stacking energy: -55.438
Base-Backbone interact. energy: -0.005
local terms energy: -56.893337
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -98.048146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.048146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.048146 (E_RNA)
where:
Base-Base interactions energy: -45.915
where: short stacking energy: -33.948
Base-Backbone interact. energy: -2.360
local terms energy: -49.773097
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -6.876
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: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -101.051851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.051851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.051851 (E_RNA)
where:
Base-Base interactions energy: -47.157
where: short stacking energy: -43.006
Base-Backbone interact. energy: -0.087
local terms energy: -53.808198
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -97.080464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.080464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.080464 (E_RNA)
where:
Base-Base interactions energy: -58.386
where: short stacking energy: -34.278
Base-Backbone interact. energy: 0.316
local terms energy: -39.011250
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -9.288
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -71.832720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.832720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.832720 (E_RNA)
where:
Base-Base interactions energy: -23.128
where: short stacking energy: -23.128
Base-Backbone interact. energy: 0.243
local terms energy: -48.947124
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: 0.835
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: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -208.848624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.848624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.848624 (E_RNA)
where:
Base-Base interactions energy: -135.687
where: short stacking energy: -66.338
Base-Backbone interact. energy: -0.081
local terms energy: -73.081041
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -212.202553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.202553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.202553 (E_RNA)
where:
Base-Base interactions energy: -132.943
where: short stacking energy: -74.746
Base-Backbone interact. energy: 0.590
local terms energy: -79.849659
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -13.746
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: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -162.994710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.994710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.994710 (E_RNA)
where:
Base-Base interactions energy: -94.019
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.855
local terms energy: -68.121207
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -12.788
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: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -182.763812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.763812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.763812 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.008
local terms energy: -64.201918
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -171.997049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.997049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.997049 (E_RNA)
where:
Base-Base interactions energy: -107.029
where: short stacking energy: -59.721
Base-Backbone interact. energy: -0.175
local terms energy: -64.793113
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -149.479798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.479798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.479798 (E_RNA)
where:
Base-Base interactions energy: -83.385
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.163
local terms energy: -65.931849
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -87.960242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.960242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.960242 (E_RNA)
where:
Base-Base interactions energy: -43.011
where: short stacking energy: -40.774
Base-Backbone interact. energy: -0.067
local terms energy: -44.881896
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -84.443113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.443113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.443113 (E_RNA)
where:
Base-Base interactions energy: -30.657
where: short stacking energy: -24.758
Base-Backbone interact. energy: -1.808
local terms energy: -51.978686
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -10.010
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: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -83.891374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.891374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.891374 (E_RNA)
where:
Base-Base interactions energy: -47.804
where: short stacking energy: -23.156
Base-Backbone interact. energy: -0.564
local terms energy: -35.523729
where:
bonds (distance) C4'-P energy: -6.069
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -9.039
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: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -78.631602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.631602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.631602 (E_RNA)
where:
Base-Base interactions energy: -38.348
where: short stacking energy: -25.309
Base-Backbone interact. energy: -0.165
local terms energy: -40.119103
where:
bonds (distance) C4'-P energy: -6.265
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -214.721670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.721670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.721670 (E_RNA)
where:
Base-Base interactions energy: -138.299
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.082
local terms energy: -76.341086
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -209.435956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.435956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.435956 (E_RNA)
where:
Base-Base interactions energy: -130.838
where: short stacking energy: -74.304
Base-Backbone interact. energy: -0.606
local terms energy: -77.991184
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -22.544
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: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -173.805268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.805268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.805268 (E_RNA)
where:
Base-Base interactions energy: -103.771
where: short stacking energy: -58.806
Base-Backbone interact. energy: -1.123
local terms energy: -68.911010
where:
bonds (distance) C4'-P energy: -7.500
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -197.615942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.615942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.615942 (E_RNA)
where:
Base-Base interactions energy: -120.390
where: short stacking energy: -72.055
Base-Backbone interact. energy: -0.087
local terms energy: -77.138512
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -186.821439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.821439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.821439 (E_RNA)
where:
Base-Base interactions energy: -115.685
where: short stacking energy: -63.539
Base-Backbone interact. energy: 0.104
local terms energy: -71.240289
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -11.296
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: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -102.681839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.681839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.681839 (E_RNA)
where:
Base-Base interactions energy: -49.942
where: short stacking energy: -46.448
Base-Backbone interact. energy: -0.653
local terms energy: -52.087097
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -120.050544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.050544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.050544 (E_RNA)
where:
Base-Base interactions energy: -73.053
where: short stacking energy: -51.671
Base-Backbone interact. energy: -0.000
local terms energy: -46.997650
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -8.030
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -78.772633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.772633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.772633 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -24.508
Base-Backbone interact. energy: -0.133
local terms energy: -53.424928
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -2.374
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: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -89.400520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.400520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.400520 (E_RNA)
where:
Base-Base interactions energy: -46.502
where: short stacking energy: -20.845
Base-Backbone interact. energy: -0.127
local terms energy: -42.771975
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -2.210
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -76.883678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.883678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.883678 (E_RNA)
where:
Base-Base interactions energy: -27.076
where: short stacking energy: -27.076
Base-Backbone interact. energy: -0.100
local terms energy: -49.707625
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -3.689
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -224.544749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.544749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.544749 (E_RNA)
where:
Base-Base interactions energy: -147.778
where: short stacking energy: -77.837
Base-Backbone interact. energy: -0.001
local terms energy: -76.766241
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -206.581134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.581134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.581134 (E_RNA)
where:
Base-Base interactions energy: -135.301
where: short stacking energy: -70.744
Base-Backbone interact. energy: -0.289
local terms energy: -70.990653
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -179.699681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.699681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.699681 (E_RNA)
where:
Base-Base interactions energy: -113.198
where: short stacking energy: -65.517
Base-Backbone interact. energy: -0.132
local terms energy: -66.369316
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -193.352608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.352608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.352608 (E_RNA)
where:
Base-Base interactions energy: -120.976
where: short stacking energy: -56.411
Base-Backbone interact. energy: -0.022
local terms energy: -72.354347
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -165.087622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.087622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.087622 (E_RNA)
where:
Base-Base interactions energy: -94.413
where: short stacking energy: -62.680
Base-Backbone interact. energy: -0.056
local terms energy: -70.617899
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -103.473330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.473330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.473330 (E_RNA)
where:
Base-Base interactions energy: -48.505
where: short stacking energy: -35.952
Base-Backbone interact. energy: 0.343
local terms energy: -55.311374
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -88.756979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.756979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.756979 (E_RNA)
where:
Base-Base interactions energy: -36.820
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.072
local terms energy: -51.864720
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -84.207160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207160 (E_RNA)
where:
Base-Base interactions energy: -39.454
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.514
local terms energy: -44.239243
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: 0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -137.224679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.224679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.224679 (E_RNA)
where:
Base-Base interactions energy: -77.537
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.844
local terms energy: -58.844258
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -113.938445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.938445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.938445 (E_RNA)
where:
Base-Base interactions energy: -63.078
where: short stacking energy: -36.830
Base-Backbone interact. energy: -0.398
local terms energy: -50.463249
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: 1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -217.280502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.280502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.280502 (E_RNA)
where:
Base-Base interactions energy: -145.602
where: short stacking energy: -67.101
Base-Backbone interact. energy: -0.001
local terms energy: -71.678061
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -207.447752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.447752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.447752 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -67.334
Base-Backbone interact. energy: -0.784
local terms energy: -80.904152
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -12.163
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: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -194.424787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.424787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.424787 (E_RNA)
where:
Base-Base interactions energy: -114.288
where: short stacking energy: -61.279
Base-Backbone interact. energy: -2.297
local terms energy: -77.839697
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -184.324071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.324071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.324071 (E_RNA)
where:
Base-Base interactions energy: -114.472
where: short stacking energy: -64.366
Base-Backbone interact. energy: -0.000
local terms energy: -69.852080
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -179.763171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.763171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.763171 (E_RNA)
where:
Base-Base interactions energy: -113.566
where: short stacking energy: -57.803
Base-Backbone interact. energy: -0.113
local terms energy: -66.084066
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -10.732
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: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -133.235141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.235141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.235141 (E_RNA)
where:
Base-Base interactions energy: -76.062
where: short stacking energy: -44.958
Base-Backbone interact. energy: -0.786
local terms energy: -56.387429
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -102.909660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.909660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.909660 (E_RNA)
where:
Base-Base interactions energy: -38.263
where: short stacking energy: -38.263
Base-Backbone interact. energy: -0.141
local terms energy: -64.505463
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -137.753056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.753056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.753056 (E_RNA)
where:
Base-Base interactions energy: -83.540
where: short stacking energy: -43.341
Base-Backbone interact. energy: 0.467
local terms energy: -54.679874
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -15.004
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: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -83.752203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.752203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.752203 (E_RNA)
where:
Base-Base interactions energy: -40.251
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.421
local terms energy: -43.080122
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -74.379416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.379416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.379416 (E_RNA)
where:
Base-Base interactions energy: -36.918
where: short stacking energy: -33.546
Base-Backbone interact. energy: -0.266
local terms energy: -37.196331
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: 2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -212.262096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.262096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.262096 (E_RNA)
where:
Base-Base interactions energy: -140.835
where: short stacking energy: -62.288
Base-Backbone interact. energy: -0.163
local terms energy: -71.264551
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -214.581860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.581860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.581860 (E_RNA)
where:
Base-Base interactions energy: -143.184
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.522
local terms energy: -70.875401
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -193.885024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.885024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.885024 (E_RNA)
where:
Base-Base interactions energy: -120.504
where: short stacking energy: -58.292
Base-Backbone interact. energy: -0.624
local terms energy: -72.756238
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -17.517
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: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -191.470281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.470281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.470281 (E_RNA)
where:
Base-Base interactions energy: -120.915
where: short stacking energy: -56.790
Base-Backbone interact. energy: -0.040
local terms energy: -70.514905
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -14.544
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: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -180.089995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.089995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.089995 (E_RNA)
where:
Base-Base interactions energy: -113.900
where: short stacking energy: -55.021
Base-Backbone interact. energy: -0.790
local terms energy: -65.399775
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -127.717524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.717524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.717524 (E_RNA)
where:
Base-Base interactions energy: -68.534
where: short stacking energy: -38.941
Base-Backbone interact. energy: -0.448
local terms energy: -58.735614
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -98.730527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.730527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.730527 (E_RNA)
where:
Base-Base interactions energy: -42.227
where: short stacking energy: -16.721
Base-Backbone interact. energy: -0.260
local terms energy: -56.243626
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -99.933941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.933941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.933941 (E_RNA)
where:
Base-Base interactions energy: -49.196
where: short stacking energy: -47.398
Base-Backbone interact. energy: -0.043
local terms energy: -50.695417
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -87.126861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.126861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.126861 (E_RNA)
where:
Base-Base interactions energy: -36.091
where: short stacking energy: -29.541
Base-Backbone interact. energy: 0.605
local terms energy: -51.640511
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -0.752
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: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -75.998676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.998676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.998676 (E_RNA)
where:
Base-Base interactions energy: -24.027
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.180
local terms energy: -51.790974
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -214.952308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.952308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.952308 (E_RNA)
where:
Base-Base interactions energy: -137.416
where: short stacking energy: -68.421
Base-Backbone interact. energy: -0.286
local terms energy: -77.250375
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -16.282
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: 405
Temperature: 0.950000
Total energy: -196.453378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.453378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.453378 (E_RNA)
where:
Base-Base interactions energy: -122.798
where: short stacking energy: -67.628
Base-Backbone interact. energy: -0.127
local terms energy: -73.528260
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -18.166
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: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -192.931168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.931168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.931168 (E_RNA)
where:
Base-Base interactions energy: -130.629
where: short stacking energy: -55.872
Base-Backbone interact. energy: -0.220
local terms energy: -62.081696
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -10.982
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: 405
Temperature: 1.050000
Total energy: -180.549793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.549793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.549793 (E_RNA)
where:
Base-Base interactions energy: -115.824
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.033
local terms energy: -64.693596
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -9.043
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: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -164.474328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.474328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.474328 (E_RNA)
where:
Base-Base interactions energy: -117.943
where: short stacking energy: -56.772
Base-Backbone interact. energy: 3.841
local terms energy: -50.372429
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -12.920
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: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -120.967588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.967588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.967588 (E_RNA)
where:
Base-Base interactions energy: -70.698
where: short stacking energy: -38.747
Base-Backbone interact. energy: 0.193
local terms energy: -50.462151
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -7.093
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: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -96.290025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.290025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.290025 (E_RNA)
where:
Base-Base interactions energy: -51.029
where: short stacking energy: -39.267
Base-Backbone interact. energy: -0.564
local terms energy: -44.696575
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -88.042642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.042642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.042642 (E_RNA)
where:
Base-Base interactions energy: -43.566
where: short stacking energy: -29.301
Base-Backbone interact. energy: -0.112
local terms energy: -44.363912
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -88.503677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.503677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.503677 (E_RNA)
where:
Base-Base interactions energy: -32.918
where: short stacking energy: -32.760
Base-Backbone interact. energy: -0.367
local terms energy: -55.218486
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -79.539604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.539604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.539604 (E_RNA)
where:
Base-Base interactions energy: -33.819
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.183
local terms energy: -45.538176
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -214.408482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.408482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.408482 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.004
local terms energy: -79.621693
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -12.137
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: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -206.635267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.635267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.635267 (E_RNA)
where:
Base-Base interactions energy: -136.762
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.130
local terms energy: -69.743588
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -192.543776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.543776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.543776 (E_RNA)
where:
Base-Base interactions energy: -125.879
where: short stacking energy: -58.952
Base-Backbone interact. energy: -0.130
local terms energy: -66.534856
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -7.767
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: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -159.498774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.498774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.498774 (E_RNA)
where:
Base-Base interactions energy: -92.996
where: short stacking energy: -45.862
Base-Backbone interact. energy: -0.022
local terms energy: -66.480689
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -172.574085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.574085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.574085 (E_RNA)
where:
Base-Base interactions energy: -103.887
where: short stacking energy: -62.599
Base-Backbone interact. energy: -0.967
local terms energy: -67.719937
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -94.114670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.114670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.114670 (E_RNA)
where:
Base-Base interactions energy: -40.694
where: short stacking energy: -32.577
Base-Backbone interact. energy: -0.343
local terms energy: -53.077353
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -2.460
tors. eta vs tors. theta energy: -9.728
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: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -91.908610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.908610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.908610 (E_RNA)
where:
Base-Base interactions energy: -45.299
where: short stacking energy: -31.015
Base-Backbone interact. energy: -0.286
local terms energy: -46.323483
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -91.220784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.220784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.220784 (E_RNA)
where:
Base-Base interactions energy: -38.256
where: short stacking energy: -26.461
Base-Backbone interact. energy: -0.053
local terms energy: -52.912239
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -80.638316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.638316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.638316 (E_RNA)
where:
Base-Base interactions energy: -34.238
where: short stacking energy: -34.238
Base-Backbone interact. energy: -0.027
local terms energy: -46.372982
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -71.033699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.033699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.033699 (E_RNA)
where:
Base-Base interactions energy: -20.470
where: short stacking energy: -20.470
Base-Backbone interact. energy: -0.616
local terms energy: -49.947670
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -8.155
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -219.343630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.343630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.343630 (E_RNA)
where:
Base-Base interactions energy: -140.267
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.262
local terms energy: -78.814145
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -200.942266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.942266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.942266 (E_RNA)
where:
Base-Base interactions energy: -122.945
where: short stacking energy: -73.106
Base-Backbone interact. energy: -0.085
local terms energy: -77.912177
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -213.445652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.445652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.445652 (E_RNA)
where:
Base-Base interactions energy: -136.790
where: short stacking energy: -67.064
Base-Backbone interact. energy: -0.047
local terms energy: -76.609156
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.483
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: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -176.225802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.225802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.225802 (E_RNA)
where:
Base-Base interactions energy: -106.194
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.004
local terms energy: -70.027622
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -173.282897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.282897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.282897 (E_RNA)
where:
Base-Base interactions energy: -105.793
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.261
local terms energy: -67.229476
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -97.265572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.265572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.265572 (E_RNA)
where:
Base-Base interactions energy: -53.780
where: short stacking energy: -35.458
Base-Backbone interact. energy: 0.630
local terms energy: -44.115884
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -2.343
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: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -91.123136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.123136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.123136 (E_RNA)
where:
Base-Base interactions energy: -45.462
where: short stacking energy: -40.796
Base-Backbone interact. energy: -0.204
local terms energy: -45.456784
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -81.987655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.987655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.987655 (E_RNA)
where:
Base-Base interactions energy: -39.739
where: short stacking energy: -23.807
Base-Backbone interact. energy: 0.007
local terms energy: -42.256203
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -2.966
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -97.645627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.645627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.645627 (E_RNA)
where:
Base-Base interactions energy: -49.140
where: short stacking energy: -40.355
Base-Backbone interact. energy: 0.866
local terms energy: -49.371239
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -76.878302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.878302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.878302 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -26.032
Base-Backbone interact. energy: -0.264
local terms energy: -47.093267
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -5.456
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: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -208.013580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.013580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.013580 (E_RNA)
where:
Base-Base interactions energy: -134.829
where: short stacking energy: -68.169
Base-Backbone interact. energy: -0.063
local terms energy: -73.122308
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -10.410
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: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -205.525254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.525254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.525254 (E_RNA)
where:
Base-Base interactions energy: -124.939
where: short stacking energy: -71.198
Base-Backbone interact. energy: 0.592
local terms energy: -81.178226
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -207.780377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.780377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.780377 (E_RNA)
where:
Base-Base interactions energy: -130.443
where: short stacking energy: -57.134
Base-Backbone interact. energy: -0.004
local terms energy: -77.333241
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -180.801279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.801279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.801279 (E_RNA)
where:
Base-Base interactions energy: -121.537
where: short stacking energy: -65.734
Base-Backbone interact. energy: -0.147
local terms energy: -59.117716
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -182.308080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.308080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.308080 (E_RNA)
where:
Base-Base interactions energy: -110.169
where: short stacking energy: -47.198
Base-Backbone interact. energy: -0.101
local terms energy: -72.037627
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -13.585
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: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -111.590320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.590320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.590320 (E_RNA)
where:
Base-Base interactions energy: -53.451
where: short stacking energy: -44.648
Base-Backbone interact. energy: -1.017
local terms energy: -57.122102
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -95.287224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.287224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.287224 (E_RNA)
where:
Base-Base interactions energy: -43.088
where: short stacking energy: -21.852
Base-Backbone interact. energy: -0.788
local terms energy: -51.411098
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -1.197
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: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -102.887093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.887093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.887093 (E_RNA)
where:
Base-Base interactions energy: -50.493
where: short stacking energy: -40.845
Base-Backbone interact. energy: -0.024
local terms energy: -52.369198
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -79.870400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.870400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.870400 (E_RNA)
where:
Base-Base interactions energy: -23.806
where: short stacking energy: -23.806
Base-Backbone interact. energy: -0.195
local terms energy: -55.869730
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -2.535
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: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -78.293222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.293222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.293222 (E_RNA)
where:
Base-Base interactions energy: -25.295
where: short stacking energy: -25.295
Base-Backbone interact. energy: -0.089
local terms energy: -52.908654
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.469
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: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -226.818091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.818091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.818091 (E_RNA)
where:
Base-Base interactions energy: -144.682
where: short stacking energy: -76.671
Base-Backbone interact. energy: -0.041
local terms energy: -82.095148
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -11.588
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: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -207.158618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.158618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.158618 (E_RNA)
where:
Base-Base interactions energy: -130.695
where: short stacking energy: -66.624
Base-Backbone interact. energy: -0.003
local terms energy: -76.460952
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -208.904252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.904252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.904252 (E_RNA)
where:
Base-Base interactions energy: -130.681
where: short stacking energy: -65.099
Base-Backbone interact. energy: -0.000
local terms energy: -78.222476
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -172.651637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.651637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.651637 (E_RNA)
where:
Base-Base interactions energy: -107.460
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.040
local terms energy: -65.152168
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -160.233189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.233189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.233189 (E_RNA)
where:
Base-Base interactions energy: -92.222
where: short stacking energy: -55.500
Base-Backbone interact. energy: -0.440
local terms energy: -67.571915
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -121.863238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.863238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.863238 (E_RNA)
where:
Base-Base interactions energy: -69.982
where: short stacking energy: -43.423
Base-Backbone interact. energy: -0.068
local terms energy: -51.812738
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -100.596604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.596604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.596604 (E_RNA)
where:
Base-Base interactions energy: -41.841
where: short stacking energy: -41.841
Base-Backbone interact. energy: -0.128
local terms energy: -58.627821
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -8.162
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: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -86.622028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.622028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.622028 (E_RNA)
where:
Base-Base interactions energy: -41.740
where: short stacking energy: -18.608
Base-Backbone interact. energy: -0.682
local terms energy: -44.199977
where:
bonds (distance) C4'-P energy: -7.135
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -8.786
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: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -80.442776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.442776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.442776 (E_RNA)
where:
Base-Base interactions energy: -28.684
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.221
local terms energy: -51.537462
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -73.862140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.862140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.862140 (E_RNA)
where:
Base-Base interactions energy: -33.882
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.087
local terms energy: -39.893131
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: 2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -218.741137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.741137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.741137 (E_RNA)
where:
Base-Base interactions energy: -137.104
where: short stacking energy: -64.663
Base-Backbone interact. energy: -0.029
local terms energy: -81.609028
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -211.292103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.292103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.292103 (E_RNA)
where:
Base-Base interactions energy: -135.478
where: short stacking energy: -63.235
Base-Backbone interact. energy: 1.598
local terms energy: -77.411526
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -21.112
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: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -194.449128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.449128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.449128 (E_RNA)
where:
Base-Base interactions energy: -115.613
where: short stacking energy: -66.541
Base-Backbone interact. energy: -0.000
local terms energy: -78.835582
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -9.462
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: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -179.259496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.259496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.259496 (E_RNA)
where:
Base-Base interactions energy: -112.540
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.860
local terms energy: -65.859407
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.343
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: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -166.085148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.085148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.085148 (E_RNA)
where:
Base-Base interactions energy: -97.754
where: short stacking energy: -58.034
Base-Backbone interact. energy: -0.074
local terms energy: -68.257137
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -105.471354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.471354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.471354 (E_RNA)
where:
Base-Base interactions energy: -45.039
where: short stacking energy: -45.039
Base-Backbone interact. energy: -0.121
local terms energy: -60.311007
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -6.540
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: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -95.019428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.019428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.019428 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.105
local terms energy: -55.943389
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -7.900
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: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -81.985937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.985937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.985937 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -36.193
Base-Backbone interact. energy: -0.217
local terms energy: -45.575571
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -0.178
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: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -88.044972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.044972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.044972 (E_RNA)
where:
Base-Base interactions energy: -37.185
where: short stacking energy: -36.857
Base-Backbone interact. energy: -0.032
local terms energy: -50.827231
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -10.096
flat angles C4'-P-C4' energy: -7.743
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -83.733832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.733832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.733832 (E_RNA)
where:
Base-Base interactions energy: -35.753
where: short stacking energy: -32.864
Base-Backbone interact. energy: -0.371
local terms energy: -47.609403
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -225.045912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.045912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.045912 (E_RNA)
where:
Base-Base interactions energy: -143.139
where: short stacking energy: -74.806
Base-Backbone interact. energy: -0.255
local terms energy: -81.651198
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -206.754412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.754412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.754412 (E_RNA)
where:
Base-Base interactions energy: -139.010
where: short stacking energy: -55.508
Base-Backbone interact. energy: -0.723
local terms energy: -67.021703
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -201.173742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.173742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.173742 (E_RNA)
where:
Base-Base interactions energy: -128.361
where: short stacking energy: -72.922
Base-Backbone interact. energy: -0.092
local terms energy: -72.721097
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -171.263577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.263577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.263577 (E_RNA)
where:
Base-Base interactions energy: -113.004
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.796
local terms energy: -57.463794
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -3.736
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -161.741511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.741511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.741511 (E_RNA)
where:
Base-Base interactions energy: -104.098
where: short stacking energy: -50.303
Base-Backbone interact. energy: 0.691
local terms energy: -58.334552
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -12.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -93.710927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.710927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.710927 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -37.538
Base-Backbone interact. energy: -0.223
local terms energy: -54.959097
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -6.836
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: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -88.284930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.284930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.284930 (E_RNA)
where:
Base-Base interactions energy: -39.074
where: short stacking energy: -34.545
Base-Backbone interact. energy: -0.489
local terms energy: -48.721911
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -5.917
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: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -91.135014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.135014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.135014 (E_RNA)
where:
Base-Base interactions energy: -41.273
where: short stacking energy: -41.273
Base-Backbone interact. energy: -0.261
local terms energy: -49.600697
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -78.456642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.456642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.456642 (E_RNA)
where:
Base-Base interactions energy: -26.580
where: short stacking energy: -23.145
Base-Backbone interact. energy: -0.193
local terms energy: -51.684234
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -87.280138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.280138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.280138 (E_RNA)
where:
Base-Base interactions energy: -44.200
where: short stacking energy: -41.785
Base-Backbone interact. energy: 1.135
local terms energy: -44.214891
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -5.273
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: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -221.856422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.856422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.856422 (E_RNA)
where:
Base-Base interactions energy: -135.578
where: short stacking energy: -74.574
Base-Backbone interact. energy: -0.007
local terms energy: -86.271133
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -211.796365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.796365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.796365 (E_RNA)
where:
Base-Base interactions energy: -137.786
where: short stacking energy: -56.738
Base-Backbone interact. energy: -0.306
local terms energy: -73.704220
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -9.881
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: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -205.531414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.531414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.531414 (E_RNA)
where:
Base-Base interactions energy: -129.476
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.037
local terms energy: -76.018708
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -146.919034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.919034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.919034 (E_RNA)
where:
Base-Base interactions energy: -90.878
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.040
local terms energy: -56.001571
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -159.770552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.770552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.770552 (E_RNA)
where:
Base-Base interactions energy: -102.151
where: short stacking energy: -52.372
Base-Backbone interact. energy: -0.330
local terms energy: -57.289461
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -14.483
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: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -94.332760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.332760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.332760 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -37.131
Base-Backbone interact. energy: 0.460
local terms energy: -51.402566
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -84.751686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.751686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.751686 (E_RNA)
where:
Base-Base interactions energy: -40.027
where: short stacking energy: -37.546
Base-Backbone interact. energy: -0.025
local terms energy: -44.699592
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -10.921
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: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -91.980224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.980224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.980224 (E_RNA)
where:
Base-Base interactions energy: -44.509
where: short stacking energy: -38.001
Base-Backbone interact. energy: -0.061
local terms energy: -47.410187
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -7.984
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -5.489
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: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -82.641311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641311 (E_RNA)
where:
Base-Base interactions energy: -35.945
where: short stacking energy: -24.975
Base-Backbone interact. energy: -0.249
local terms energy: -46.447473
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -3.946
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: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -73.538782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.538782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.538782 (E_RNA)
where:
Base-Base interactions energy: -34.857
where: short stacking energy: -20.340
Base-Backbone interact. energy: -0.193
local terms energy: -38.488916
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -4.429
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: 2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -231.731822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.731822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.731822 (E_RNA)
where:
Base-Base interactions energy: -147.266
where: short stacking energy: -81.501
Base-Backbone interact. energy: -0.000
local terms energy: -84.465327
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -192.979852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.979852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.979852 (E_RNA)
where:
Base-Base interactions energy: -122.257
where: short stacking energy: -62.348
Base-Backbone interact. energy: -0.079
local terms energy: -70.643988
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -201.423903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.423903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.423903 (E_RNA)
where:
Base-Base interactions energy: -125.311
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.219
local terms energy: -75.894086
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -17.866
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: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -164.073002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.073002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.073002 (E_RNA)
where:
Base-Base interactions energy: -99.449
where: short stacking energy: -50.965
Base-Backbone interact. energy: -0.010
local terms energy: -64.613793
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -134.730903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.730903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.730903 (E_RNA)
where:
Base-Base interactions energy: -80.492
where: short stacking energy: -39.826
Base-Backbone interact. energy: -0.172
local terms energy: -54.067297
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -96.111765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.111765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.111765 (E_RNA)
where:
Base-Base interactions energy: -49.227
where: short stacking energy: -42.427
Base-Backbone interact. energy: -0.219
local terms energy: -46.665700
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -87.191611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.191611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.191611 (E_RNA)
where:
Base-Base interactions energy: -36.432
where: short stacking energy: -35.017
Base-Backbone interact. energy: -0.283
local terms energy: -50.477017
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -117.841325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.841325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.841325 (E_RNA)
where:
Base-Base interactions energy: -68.387
where: short stacking energy: -41.246
Base-Backbone interact. energy: -0.044
local terms energy: -49.409617
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -86.601007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.601007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.601007 (E_RNA)
where:
Base-Base interactions energy: -38.557
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.196
local terms energy: -47.848016
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -89.299602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.299602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.299602 (E_RNA)
where:
Base-Base interactions energy: -42.285
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.001
local terms energy: -47.013282
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -7.773
flat angles P-C4'-P energy: -6.503
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: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -217.700607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.700607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.700607 (E_RNA)
where:
Base-Base interactions energy: -142.256
where: short stacking energy: -75.237
Base-Backbone interact. energy: -1.614
local terms energy: -73.831309
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -9.350
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: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -208.157826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.157826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.157826 (E_RNA)
where:
Base-Base interactions energy: -138.361
where: short stacking energy: -65.554
Base-Backbone interact. energy: 0.751
local terms energy: -70.548074
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -202.019472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.019472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.019472 (E_RNA)
where:
Base-Base interactions energy: -127.197
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.683
local terms energy: -74.139739
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -166.855433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.855433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.855433 (E_RNA)
where:
Base-Base interactions energy: -101.462
where: short stacking energy: -46.248
Base-Backbone interact. energy: -0.322
local terms energy: -65.071644
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -11.085
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: 414
Temperature: 1.100000
Total energy: -157.549639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.549639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.549639 (E_RNA)
where:
Base-Base interactions energy: -96.351
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.009
local terms energy: -61.189769
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -15.111
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: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -91.586861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.586861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.586861 (E_RNA)
where:
Base-Base interactions energy: -43.146
where: short stacking energy: -44.289
Base-Backbone interact. energy: 0.147
local terms energy: -48.587357
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -7.896
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: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -113.580518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.580518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.580518 (E_RNA)
where:
Base-Base interactions energy: -59.850
where: short stacking energy: -33.027
Base-Backbone interact. energy: -0.538
local terms energy: -53.192247
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -94.659457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.659457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.659457 (E_RNA)
where:
Base-Base interactions energy: -47.300
where: short stacking energy: -41.881
Base-Backbone interact. energy: -0.869
local terms energy: -46.490776
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -90.285782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.285782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.285782 (E_RNA)
where:
Base-Base interactions energy: -46.769
where: short stacking energy: -29.471
Base-Backbone interact. energy: 0.831
local terms energy: -44.348540
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -70.514167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.514167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.514167 (E_RNA)
where:
Base-Base interactions energy: -20.527
where: short stacking energy: -18.311
Base-Backbone interact. energy: -0.284
local terms energy: -49.703353
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -7.434
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -220.324669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.324669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.324669 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -74.184
Base-Backbone interact. energy: -0.494
local terms energy: -77.406163
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -9.058
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: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -209.291148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.291148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.291148 (E_RNA)
where:
Base-Base interactions energy: -137.791
where: short stacking energy: -70.204
Base-Backbone interact. energy: -0.006
local terms energy: -71.494039
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -180.853134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.853134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.853134 (E_RNA)
where:
Base-Base interactions energy: -116.202
where: short stacking energy: -63.789
Base-Backbone interact. energy: -0.008
local terms energy: -64.643482
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -12.289
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: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -171.837956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.837956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.837956 (E_RNA)
where:
Base-Base interactions energy: -98.660
where: short stacking energy: -55.948
Base-Backbone interact. energy: -3.050
local terms energy: -70.128276
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -180.407092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.407092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.407092 (E_RNA)
where:
Base-Base interactions energy: -113.730
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.017
local terms energy: -66.660048
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -164.079176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.079176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.079176 (E_RNA)
where:
Base-Base interactions energy: -99.667
where: short stacking energy: -53.010
Base-Backbone interact. energy: 0.008
local terms energy: -64.419499
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -103.525744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.525744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.525744 (E_RNA)
where:
Base-Base interactions energy: -45.980
where: short stacking energy: -40.270
Base-Backbone interact. energy: -1.343
local terms energy: -56.202466
where:
bonds (distance) C4'-P energy: -5.656
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -87.306208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.306208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.306208 (E_RNA)
where:
Base-Base interactions energy: -36.413
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.135
local terms energy: -50.758605
where:
bonds (distance) C4'-P energy: -4.511
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -87.242370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.242370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.242370 (E_RNA)
where:
Base-Base interactions energy: -42.598
where: short stacking energy: -34.103
Base-Backbone interact. energy: 0.577
local terms energy: -45.220916
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -76.360286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.360286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.360286 (E_RNA)
where:
Base-Base interactions energy: -24.784
where: short stacking energy: -23.441
Base-Backbone interact. energy: -0.173
local terms energy: -51.403044
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -2.533
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: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -218.801701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.801701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.801701 (E_RNA)
where:
Base-Base interactions energy: -143.606
where: short stacking energy: -76.607
Base-Backbone interact. energy: -0.037
local terms energy: -75.158452
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -22.925
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: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -210.985496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.985496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.985496 (E_RNA)
where:
Base-Base interactions energy: -135.115
where: short stacking energy: -58.158
Base-Backbone interact. energy: 0.402
local terms energy: -76.272330
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -13.664
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: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -187.060789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.060789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.060789 (E_RNA)
where:
Base-Base interactions energy: -121.367
where: short stacking energy: -57.711
Base-Backbone interact. energy: -2.461
local terms energy: -63.232291
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -183.754433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.754433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.754433 (E_RNA)
where:
Base-Base interactions energy: -119.217
where: short stacking energy: -54.555
Base-Backbone interact. energy: 1.630
local terms energy: -66.167272
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -12.706
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: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -164.433460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.433460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.433460 (E_RNA)
where:
Base-Base interactions energy: -100.566
where: short stacking energy: -51.207
Base-Backbone interact. energy: 0.301
local terms energy: -64.168382
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -175.468044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.468044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.468044 (E_RNA)
where:
Base-Base interactions energy: -107.155
where: short stacking energy: -51.370
Base-Backbone interact. energy: -0.534
local terms energy: -67.779603
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -94.935807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.935807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.935807 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -32.482
Base-Backbone interact. energy: -0.163
local terms energy: -56.336716
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -90.854850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.854850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.854850 (E_RNA)
where:
Base-Base interactions energy: -44.989
where: short stacking energy: -31.581
Base-Backbone interact. energy: 0.172
local terms energy: -46.037372
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -8.409
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: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -98.879186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.879186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.879186 (E_RNA)
where:
Base-Base interactions energy: -50.729
where: short stacking energy: -33.563
Base-Backbone interact. energy: 0.216
local terms energy: -48.365772
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -73.664570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.664570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.664570 (E_RNA)
where:
Base-Base interactions energy: -29.192
where: short stacking energy: -24.747
Base-Backbone interact. energy: 0.622
local terms energy: -45.094862
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -220.357178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.357178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.357178 (E_RNA)
where:
Base-Base interactions energy: -139.387
where: short stacking energy: -71.022
Base-Backbone interact. energy: -0.031
local terms energy: -80.939140
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -212.204992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.204992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.204992 (E_RNA)
where:
Base-Base interactions energy: -142.607
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.005
local terms energy: -69.593003
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -8.335
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -190.385504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.385504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.385504 (E_RNA)
where:
Base-Base interactions energy: -113.981
where: short stacking energy: -53.765
Base-Backbone interact. energy: -0.857
local terms energy: -75.546559
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -12.722
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: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -162.564090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.564090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.564090 (E_RNA)
where:
Base-Base interactions energy: -101.207
where: short stacking energy: -49.636
Base-Backbone interact. energy: 0.552
local terms energy: -61.909315
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -176.473503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.473503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.473503 (E_RNA)
where:
Base-Base interactions energy: -105.578
where: short stacking energy: -54.015
Base-Backbone interact. energy: 0.048
local terms energy: -70.943367
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -16.975
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: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -171.174750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.174750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.174750 (E_RNA)
where:
Base-Base interactions energy: -104.327
where: short stacking energy: -47.773
Base-Backbone interact. energy: -0.167
local terms energy: -66.681055
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -84.869307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.869307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.869307 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.260
local terms energy: -54.908273
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -3.152
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: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -89.986592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.986592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.986592 (E_RNA)
where:
Base-Base interactions energy: -39.826
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.048
local terms energy: -50.112951
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -93.545636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.545636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.545636 (E_RNA)
where:
Base-Base interactions energy: -38.802
where: short stacking energy: -31.038
Base-Backbone interact. energy: -0.268
local terms energy: -54.476283
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -1.905
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -67.443128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.443128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.443128 (E_RNA)
where:
Base-Base interactions energy: -26.992
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.516
local terms energy: -39.935601
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: 1.602
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: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -226.401870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.401870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.401870 (E_RNA)
where:
Base-Base interactions energy: -139.984
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.607
local terms energy: -85.811119
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -209.825848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.825848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.825848 (E_RNA)
where:
Base-Base interactions energy: -133.569
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.033
local terms energy: -76.224107
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -17.786
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: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -178.514164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.514164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.514164 (E_RNA)
where:
Base-Base interactions energy: -114.743
where: short stacking energy: -57.814
Base-Backbone interact. energy: -0.155
local terms energy: -63.616393
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -11.946
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: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -187.978551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.978551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.978551 (E_RNA)
where:
Base-Base interactions energy: -113.216
where: short stacking energy: -61.277
Base-Backbone interact. energy: -0.188
local terms energy: -74.574795
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -158.580629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.580629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.580629 (E_RNA)
where:
Base-Base interactions energy: -94.868
where: short stacking energy: -51.568
Base-Backbone interact. energy: -0.412
local terms energy: -63.300207
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -165.800866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.800866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.800866 (E_RNA)
where:
Base-Base interactions energy: -112.819
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.246
local terms energy: -52.736668
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -7.216
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -13.837
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: 418
Temperature: 1.200000
Total energy: -105.432808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.432808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.432808 (E_RNA)
where:
Base-Base interactions energy: -50.946
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.442
local terms energy: -54.044550
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -99.010503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.010503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.010503 (E_RNA)
where:
Base-Base interactions energy: -37.087
where: short stacking energy: -35.104
Base-Backbone interact. energy: 0.417
local terms energy: -62.340370
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -76.466649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.466649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.466649 (E_RNA)
where:
Base-Base interactions energy: -28.199
where: short stacking energy: -28.199
Base-Backbone interact. energy: 2.965
local terms energy: -51.232587
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -81.314145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.314145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.314145 (E_RNA)
where:
Base-Base interactions energy: -29.142
where: short stacking energy: -26.732
Base-Backbone interact. energy: -0.023
local terms energy: -52.148849
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -7.390
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: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -220.751439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.751439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.751439 (E_RNA)
where:
Base-Base interactions energy: -139.961
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.043
local terms energy: -80.747014
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -196.512009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.512009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.512009 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -70.443
Base-Backbone interact. energy: 0.629
local terms energy: -76.450609
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -189.808644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.808644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.808644 (E_RNA)
where:
Base-Base interactions energy: -121.849
where: short stacking energy: -47.420
Base-Backbone interact. energy: 0.307
local terms energy: -68.266695
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -10.076
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: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -193.947528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.947528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.947528 (E_RNA)
where:
Base-Base interactions energy: -121.440
where: short stacking energy: -69.950
Base-Backbone interact. energy: -3.326
local terms energy: -69.182168
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -177.345952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.345952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.345952 (E_RNA)
where:
Base-Base interactions energy: -111.487
where: short stacking energy: -61.136
Base-Backbone interact. energy: 0.147
local terms energy: -66.006162
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -14.936
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: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -177.309315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.309315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.309315 (E_RNA)
where:
Base-Base interactions energy: -112.015
where: short stacking energy: -54.791
Base-Backbone interact. energy: 1.142
local terms energy: -66.436996
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -11.701
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -92.467851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.467851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.467851 (E_RNA)
where:
Base-Base interactions energy: -37.001
where: short stacking energy: -35.486
Base-Backbone interact. energy: -0.928
local terms energy: -54.538230
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -83.113422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.113422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.113422 (E_RNA)
where:
Base-Base interactions energy: -35.107
where: short stacking energy: -30.012
Base-Backbone interact. energy: -0.361
local terms energy: -47.644888
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -84.998042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.998042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.998042 (E_RNA)
where:
Base-Base interactions energy: -42.301
where: short stacking energy: -27.733
Base-Backbone interact. energy: 0.029
local terms energy: -42.725594
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: 1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -75.303520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.303520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.303520 (E_RNA)
where:
Base-Base interactions energy: -28.792
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.340
local terms energy: -46.171125
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -8.770
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -223.728729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.728729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.728729 (E_RNA)
where:
Base-Base interactions energy: -144.450
where: short stacking energy: -74.452
Base-Backbone interact. energy: -0.014
local terms energy: -79.264778
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -204.023647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.023647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.023647 (E_RNA)
where:
Base-Base interactions energy: -137.613
where: short stacking energy: -69.573
Base-Backbone interact. energy: 0.036
local terms energy: -66.447209
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -181.317086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.317086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.317086 (E_RNA)
where:
Base-Base interactions energy: -110.014
where: short stacking energy: -67.268
Base-Backbone interact. energy: -1.725
local terms energy: -69.578066
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -161.629097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.629097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.629097 (E_RNA)
where:
Base-Base interactions energy: -104.088
where: short stacking energy: -51.065
Base-Backbone interact. energy: -0.058
local terms energy: -57.482607
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -13.778
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: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -181.274347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.274347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.274347 (E_RNA)
where:
Base-Base interactions energy: -118.943
where: short stacking energy: -54.203
Base-Backbone interact. energy: -0.207
local terms energy: -62.124271
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -173.464650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.464650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.464650 (E_RNA)
where:
Base-Base interactions energy: -100.694
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.010
local terms energy: -72.760791
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -13.011
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: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -89.976817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.976817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.976817 (E_RNA)
where:
Base-Base interactions energy: -47.003
where: short stacking energy: -33.798
Base-Backbone interact. energy: -0.442
local terms energy: -42.531597
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -2.360
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: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -91.776616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.776616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.776616 (E_RNA)
where:
Base-Base interactions energy: -34.299
where: short stacking energy: -34.299
Base-Backbone interact. energy: 0.020
local terms energy: -57.497686
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -4.151
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: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -86.748585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.748585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.748585 (E_RNA)
where:
Base-Base interactions energy: -33.034
where: short stacking energy: -33.034
Base-Backbone interact. energy: -0.183
local terms energy: -53.531398
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -71.697048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.697048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.697048 (E_RNA)
where:
Base-Base interactions energy: -30.091
where: short stacking energy: -29.712
Base-Backbone interact. energy: -0.109
local terms energy: -41.496909
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -8.112
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: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -226.303876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.303876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.303876 (E_RNA)
where:
Base-Base interactions energy: -144.224
where: short stacking energy: -74.563
Base-Backbone interact. energy: -0.326
local terms energy: -81.753853
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -208.047241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.047241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.047241 (E_RNA)
where:
Base-Base interactions energy: -130.282
where: short stacking energy: -69.076
Base-Backbone interact. energy: -0.007
local terms energy: -77.758549
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -174.815825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.815825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.815825 (E_RNA)
where:
Base-Base interactions energy: -107.705
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.619
local terms energy: -66.491952
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -203.304287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.304287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.304287 (E_RNA)
where:
Base-Base interactions energy: -127.404
where: short stacking energy: -62.444
Base-Backbone interact. energy: -0.441
local terms energy: -75.459282
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -19.783
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: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -155.789613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.789613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.789613 (E_RNA)
where:
Base-Base interactions energy: -92.141
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.427
local terms energy: -63.222081
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -96.846988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.846988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.846988 (E_RNA)
where:
Base-Base interactions energy: -44.328
where: short stacking energy: -26.276
Base-Backbone interact. energy: -0.007
local terms energy: -52.511935
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -5.959
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: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -147.078599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.078599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.078599 (E_RNA)
where:
Base-Base interactions energy: -90.091
where: short stacking energy: -43.283
Base-Backbone interact. energy: -0.952
local terms energy: -56.035187
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -4.086
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: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -84.315542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.315542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.315542 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -23.137
Base-Backbone interact. energy: -0.342
local terms energy: -59.964492
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -12.982
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: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -85.227430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.227430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.227430 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -32.725
Base-Backbone interact. energy: -0.091
local terms energy: -44.497129
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -66.679538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.679538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.679538 (E_RNA)
where:
Base-Base interactions energy: -25.370
where: short stacking energy: -14.920
Base-Backbone interact. energy: 0.872
local terms energy: -42.181773
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: 2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -217.459191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.459191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.459191 (E_RNA)
where:
Base-Base interactions energy: -137.462
where: short stacking energy: -72.240
Base-Backbone interact. energy: -0.316
local terms energy: -79.681415
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.507
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: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -213.677350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.677350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.677350 (E_RNA)
where:
Base-Base interactions energy: -137.833
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.040
local terms energy: -75.804641
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: -20.596
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: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -210.571107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.571107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.571107 (E_RNA)
where:
Base-Base interactions energy: -132.510
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.000
local terms energy: -78.060818
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -171.954424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.954424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.954424 (E_RNA)
where:
Base-Base interactions energy: -109.322
where: short stacking energy: -54.550
Base-Backbone interact. energy: -0.049
local terms energy: -62.584210
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -164.001271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.001271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.001271 (E_RNA)
where:
Base-Base interactions energy: -96.110
where: short stacking energy: -54.696
Base-Backbone interact. energy: -0.742
local terms energy: -67.148905
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -93.444210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.444210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.444210 (E_RNA)
where:
Base-Base interactions energy: -45.009
where: short stacking energy: -35.536
Base-Backbone interact. energy: -0.638
local terms energy: -47.796629
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -4.997
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: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -137.594850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.594850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.594850 (E_RNA)
where:
Base-Base interactions energy: -77.400
where: short stacking energy: -46.326
Base-Backbone interact. energy: 1.072
local terms energy: -61.267144
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -91.358872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.358872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.358872 (E_RNA)
where:
Base-Base interactions energy: -38.573
where: short stacking energy: -38.573
Base-Backbone interact. energy: -0.055
local terms energy: -52.731513
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -82.260995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.260995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.260995 (E_RNA)
where:
Base-Base interactions energy: -34.723
where: short stacking energy: -20.152
Base-Backbone interact. energy: -0.116
local terms energy: -47.422642
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: 3.314
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: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -87.070438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.070438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.070438 (E_RNA)
where:
Base-Base interactions energy: -35.384
where: short stacking energy: -35.204
Base-Backbone interact. energy: -0.090
local terms energy: -51.597030
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -8.975
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -219.033876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.033876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.033876 (E_RNA)
where:
Base-Base interactions energy: -140.832
where: short stacking energy: -71.724
Base-Backbone interact. energy: -0.237
local terms energy: -77.964876
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -199.354072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.354072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.354072 (E_RNA)
where:
Base-Base interactions energy: -124.461
where: short stacking energy: -55.067
Base-Backbone interact. energy: -0.000
local terms energy: -74.893044
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -17.981
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: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -189.442700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.442700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.442700 (E_RNA)
where:
Base-Base interactions energy: -118.188
where: short stacking energy: -57.965
Base-Backbone interact. energy: -0.038
local terms energy: -71.216745
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -11.089
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: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -171.429005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.429005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.429005 (E_RNA)
where:
Base-Base interactions energy: -107.489
where: short stacking energy: -49.221
Base-Backbone interact. energy: 0.497
local terms energy: -64.437005
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -165.197730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.197730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.197730 (E_RNA)
where:
Base-Base interactions energy: -98.659
where: short stacking energy: -56.046
Base-Backbone interact. energy: -0.439
local terms energy: -66.099165
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -153.621658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.621658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.621658 (E_RNA)
where:
Base-Base interactions energy: -88.473
where: short stacking energy: -49.560
Base-Backbone interact. energy: -1.434
local terms energy: -63.714818
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -90.494324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.494324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.494324 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -30.173
Base-Backbone interact. energy: -1.068
local terms energy: -50.622995
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -76.242136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.242136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.242136 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -33.957
Base-Backbone interact. energy: -0.153
local terms energy: -39.306918
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -7.270
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -0.934
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: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.669601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.669601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.669601 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.145
local terms energy: -52.582866
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -85.596938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596938 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -33.698
Base-Backbone interact. energy: -0.258
local terms energy: -50.603654
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -221.299433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.299433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.299433 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -71.972
Base-Backbone interact. energy: -0.516
local terms energy: -81.150524
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -21.699
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: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -205.561556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.561556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.561556 (E_RNA)
where:
Base-Base interactions energy: -131.029
where: short stacking energy: -60.417
Base-Backbone interact. energy: 0.765
local terms energy: -75.297378
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -19.018
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: 424
Temperature: 1.000000
Total energy: -194.569405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.569405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.569405 (E_RNA)
where:
Base-Base interactions energy: -123.925
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.176
local terms energy: -70.468162
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -188.440277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.440277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.440277 (E_RNA)
where:
Base-Base interactions energy: -114.333
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.008
local terms energy: -74.099443
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -16.467
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: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -155.511079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.511079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.511079 (E_RNA)
where:
Base-Base interactions energy: -89.009
where: short stacking energy: -51.133
Base-Backbone interact. energy: -0.013
local terms energy: -66.488563
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.267
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: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -159.671536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.671536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.671536 (E_RNA)
where:
Base-Base interactions energy: -93.657
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.570
local terms energy: -65.444307
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -11.911
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: 424
Temperature: 1.200000
Total energy: -95.728675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.728675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.728675 (E_RNA)
where:
Base-Base interactions energy: -36.404
where: short stacking energy: -36.404
Base-Backbone interact. energy: -0.009
local terms energy: -59.315403
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -87.697456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.697456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.697456 (E_RNA)
where:
Base-Base interactions energy: -41.818
where: short stacking energy: -41.818
Base-Backbone interact. energy: -0.184
local terms energy: -45.695786
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: 0.688
tors. eta vs tors. theta energy: -4.695
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: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -91.577259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.577259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.577259 (E_RNA)
where:
Base-Base interactions energy: -33.079
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.767
local terms energy: -57.730923
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -5.760
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: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -90.758950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.758950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.758950 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -27.538
Base-Backbone interact. energy: -0.664
local terms energy: -57.316415
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -224.208547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.208547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.208547 (E_RNA)
where:
Base-Base interactions energy: -144.724
where: short stacking energy: -75.079
Base-Backbone interact. energy: -0.064
local terms energy: -79.420548
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -198.694839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.694839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.694839 (E_RNA)
where:
Base-Base interactions energy: -126.555
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.193
local terms energy: -71.946509
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -187.414520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.414520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.414520 (E_RNA)
where:
Base-Base interactions energy: -116.456
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.604
local terms energy: -70.354257
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -200.450525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.450525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.450525 (E_RNA)
where:
Base-Base interactions energy: -132.115
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.031
local terms energy: -68.304925
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -134.634593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.634593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.634593 (E_RNA)
where:
Base-Base interactions energy: -73.439
where: short stacking energy: -43.628
Base-Backbone interact. energy: -0.494
local terms energy: -60.701741
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -8.749
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: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -143.400595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.400595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.400595 (E_RNA)
where:
Base-Base interactions energy: -82.750
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.004
local terms energy: -60.647180
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -85.509487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509487 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.281
local terms energy: -54.512533
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -88.806467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.806467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.806467 (E_RNA)
where:
Base-Base interactions energy: -29.322
where: short stacking energy: -29.322
Base-Backbone interact. energy: -0.305
local terms energy: -59.179768
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -7.646
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: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -94.915237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.915237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.915237 (E_RNA)
where:
Base-Base interactions energy: -36.897
where: short stacking energy: -33.348
Base-Backbone interact. energy: -0.075
local terms energy: -57.943414
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -86.946649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.946649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.946649 (E_RNA)
where:
Base-Base interactions energy: -45.682
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.806
local terms energy: -40.459464
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -212.340127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.340127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.340127 (E_RNA)
where:
Base-Base interactions energy: -134.776
where: short stacking energy: -62.776
Base-Backbone interact. energy: -0.182
local terms energy: -77.382664
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -19.441
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: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -220.036631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.036631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.036631 (E_RNA)
where:
Base-Base interactions energy: -139.819
where: short stacking energy: -68.975
Base-Backbone interact. energy: -0.247
local terms energy: -79.970676
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -193.784692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.784692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.784692 (E_RNA)
where:
Base-Base interactions energy: -125.210
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.038
local terms energy: -68.536755
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -177.986027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.986027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.986027 (E_RNA)
where:
Base-Base interactions energy: -109.028
where: short stacking energy: -59.557
Base-Backbone interact. energy: -0.404
local terms energy: -68.553224
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -164.154252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.154252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.154252 (E_RNA)
where:
Base-Base interactions energy: -98.383
where: short stacking energy: -47.756
Base-Backbone interact. energy: -0.104
local terms energy: -65.667215
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -157.565774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.565774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.565774 (E_RNA)
where:
Base-Base interactions energy: -88.703
where: short stacking energy: -51.150
Base-Backbone interact. energy: -0.891
local terms energy: -67.972127
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -84.768883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.768883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.768883 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -36.021
Base-Backbone interact. energy: -0.200
local terms energy: -48.547259
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -88.944472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.944472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.944472 (E_RNA)
where:
Base-Base interactions energy: -38.862
where: short stacking energy: -26.095
Base-Backbone interact. energy: 0.724
local terms energy: -50.806090
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -92.464330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.464330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.464330 (E_RNA)
where:
Base-Base interactions energy: -41.485
where: short stacking energy: -38.763
Base-Backbone interact. energy: -0.004
local terms energy: -50.976074
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -89.097165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.097165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.097165 (E_RNA)
where:
Base-Base interactions energy: -32.661
where: short stacking energy: -32.661
Base-Backbone interact. energy: -0.055
local terms energy: -56.381425
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -206.067343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.067343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.067343 (E_RNA)
where:
Base-Base interactions energy: -136.474
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.000
local terms energy: -69.592818
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -213.039992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.039992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.039992 (E_RNA)
where:
Base-Base interactions energy: -136.306
where: short stacking energy: -72.776
Base-Backbone interact. energy: -0.576
local terms energy: -76.157219
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -197.490519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.490519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.490519 (E_RNA)
where:
Base-Base interactions energy: -122.015
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.190
local terms energy: -75.285287
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -177.238100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.238100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.238100 (E_RNA)
where:
Base-Base interactions energy: -107.528
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.139
local terms energy: -69.570402
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -153.652623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.652623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.652623 (E_RNA)
where:
Base-Base interactions energy: -90.519
where: short stacking energy: -43.756
Base-Backbone interact. energy: 0.662
local terms energy: -63.796085
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -160.333738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.333738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.333738 (E_RNA)
where:
Base-Base interactions energy: -93.494
where: short stacking energy: -46.249
Base-Backbone interact. energy: -0.151
local terms energy: -66.688495
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -12.697
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: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -101.858965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.858965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.858965 (E_RNA)
where:
Base-Base interactions energy: -43.504
where: short stacking energy: -27.574
Base-Backbone interact. energy: -0.864
local terms energy: -57.490710
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -91.218677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.218677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.218677 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -38.070
Base-Backbone interact. energy: 0.336
local terms energy: -53.418071
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -89.573740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.573740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.573740 (E_RNA)
where:
Base-Base interactions energy: -35.066
where: short stacking energy: -28.414
Base-Backbone interact. energy: -0.213
local terms energy: -54.294208
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -75.383135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.383135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.383135 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -28.645
Base-Backbone interact. energy: -0.147
local terms energy: -43.023146
where:
bonds (distance) C4'-P energy: -4.687
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -223.420662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.420662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.420662 (E_RNA)
where:
Base-Base interactions energy: -146.145
where: short stacking energy: -71.459
Base-Backbone interact. energy: -0.072
local terms energy: -77.203537
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -18.313
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: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -211.970405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.970405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970405 (E_RNA)
where:
Base-Base interactions energy: -138.213
where: short stacking energy: -68.696
Base-Backbone interact. energy: -0.052
local terms energy: -73.706051
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -203.595657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.595657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.595657 (E_RNA)
where:
Base-Base interactions energy: -126.510
where: short stacking energy: -65.891
Base-Backbone interact. energy: -0.000
local terms energy: -77.085641
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -10.895
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: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -161.657532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.657532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.657532 (E_RNA)
where:
Base-Base interactions energy: -99.920
where: short stacking energy: -51.146
Base-Backbone interact. energy: -0.109
local terms energy: -61.628842
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -153.191629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.191629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.191629 (E_RNA)
where:
Base-Base interactions energy: -90.372
where: short stacking energy: -52.334
Base-Backbone interact. energy: -0.067
local terms energy: -62.752653
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -10.813
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: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -149.797777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.797777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.797777 (E_RNA)
where:
Base-Base interactions energy: -89.920
where: short stacking energy: -46.669
Base-Backbone interact. energy: -0.175
local terms energy: -59.702422
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -6.987
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: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -109.227455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.227455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.227455 (E_RNA)
where:
Base-Base interactions energy: -54.117
where: short stacking energy: -41.364
Base-Backbone interact. energy: -0.085
local terms energy: -55.025347
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -5.802
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -89.407961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.407961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.407961 (E_RNA)
where:
Base-Base interactions energy: -48.667
where: short stacking energy: -28.807
Base-Backbone interact. energy: 0.477
local terms energy: -41.217890
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -0.832
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: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -78.542958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.542958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.542958 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -30.311
Base-Backbone interact. energy: 0.870
local terms energy: -44.743525
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -8.836
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -84.065398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.065398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.065398 (E_RNA)
where:
Base-Base interactions energy: -35.302
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.161
local terms energy: -48.602819
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -6.138
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -219.330117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.330117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.330117 (E_RNA)
where:
Base-Base interactions energy: -141.183
where: short stacking energy: -74.044
Base-Backbone interact. energy: -0.971
local terms energy: -77.176359
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -196.297777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.297777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.297777 (E_RNA)
where:
Base-Base interactions energy: -122.069
where: short stacking energy: -55.487
Base-Backbone interact. energy: -0.201
local terms energy: -74.027081
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -202.938421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.938421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.938421 (E_RNA)
where:
Base-Base interactions energy: -135.571
where: short stacking energy: -70.888
Base-Backbone interact. energy: -0.095
local terms energy: -67.272748
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -15.490
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: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -160.580427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.580427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.580427 (E_RNA)
where:
Base-Base interactions energy: -91.904
where: short stacking energy: -50.930
Base-Backbone interact. energy: 0.021
local terms energy: -68.697113
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -170.202678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.202678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.202678 (E_RNA)
where:
Base-Base interactions energy: -107.082
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.513
local terms energy: -62.607870
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -156.120505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.120505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.120505 (E_RNA)
where:
Base-Base interactions energy: -91.178
where: short stacking energy: -50.360
Base-Backbone interact. energy: -0.466
local terms energy: -64.476138
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -109.227589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.227589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.227589 (E_RNA)
where:
Base-Base interactions energy: -45.703
where: short stacking energy: -40.840
Base-Backbone interact. energy: -0.095
local terms energy: -63.429531
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -83.106291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.106291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.106291 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -28.437
Base-Backbone interact. energy: -0.310
local terms energy: -50.165974
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -1.983
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: 429
Temperature: 1.300000
Total energy: -84.293001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.293001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.293001 (E_RNA)
where:
Base-Base interactions energy: -27.810
where: short stacking energy: -27.810
Base-Backbone interact. energy: -0.227
local terms energy: -56.256125
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -87.668729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.668729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.668729 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.112
local terms energy: -52.753626
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -2.842
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: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -223.189932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.189932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.189932 (E_RNA)
where:
Base-Base interactions energy: -139.391
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.083
local terms energy: -83.716495
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -211.359739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.359739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.359739 (E_RNA)
where:
Base-Base interactions energy: -135.598
where: short stacking energy: -69.164
Base-Backbone interact. energy: -0.150
local terms energy: -75.611407
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -188.600711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.600711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.600711 (E_RNA)
where:
Base-Base interactions energy: -125.825
where: short stacking energy: -54.926
Base-Backbone interact. energy: -0.029
local terms energy: -62.746765
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -12.396
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: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -159.127118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.127118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.127118 (E_RNA)
where:
Base-Base interactions energy: -88.476
where: short stacking energy: -50.078
Base-Backbone interact. energy: -0.108
local terms energy: -70.542966
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.060
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: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -151.047702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.047702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.047702 (E_RNA)
where:
Base-Base interactions energy: -92.759
where: short stacking energy: -53.687
Base-Backbone interact. energy: -0.057
local terms energy: -58.231902
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -144.544357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.544357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.544357 (E_RNA)
where:
Base-Base interactions energy: -84.655
where: short stacking energy: -43.862
Base-Backbone interact. energy: -0.130
local terms energy: -59.758979
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -8.918
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: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -85.441303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.441303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.441303 (E_RNA)
where:
Base-Base interactions energy: -30.222
where: short stacking energy: -24.527
Base-Backbone interact. energy: -1.741
local terms energy: -53.478203
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -90.969597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.969597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.969597 (E_RNA)
where:
Base-Base interactions energy: -35.291
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.202
local terms energy: -55.476594
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -77.554878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.554878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.554878 (E_RNA)
where:
Base-Base interactions energy: -33.634
where: short stacking energy: -28.348
Base-Backbone interact. energy: -0.094
local terms energy: -43.827098
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -87.100061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.100061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.100061 (E_RNA)
where:
Base-Base interactions energy: -36.777
where: short stacking energy: -36.393
Base-Backbone interact. energy: -0.048
local terms energy: -50.275812
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -217.037312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.037312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.037312 (E_RNA)
where:
Base-Base interactions energy: -135.731
where: short stacking energy: -75.564
Base-Backbone interact. energy: -0.033
local terms energy: -81.273482
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -19.649
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: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -209.210880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.210880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.210880 (E_RNA)
where:
Base-Base interactions energy: -126.373
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.070
local terms energy: -82.767243
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -20.967
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: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -200.458728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.458728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.458728 (E_RNA)
where:
Base-Base interactions energy: -130.858
where: short stacking energy: -59.791
Base-Backbone interact. energy: -0.380
local terms energy: -69.220825
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -8.504
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: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -166.392633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.392633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.392633 (E_RNA)
where:
Base-Base interactions energy: -96.211
where: short stacking energy: -51.549
Base-Backbone interact. energy: -0.001
local terms energy: -70.180738
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -142.652586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.652586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.652586 (E_RNA)
where:
Base-Base interactions energy: -77.305
where: short stacking energy: -33.170
Base-Backbone interact. energy: -0.064
local terms energy: -65.282936
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -128.441363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.441363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.441363 (E_RNA)
where:
Base-Base interactions energy: -75.774
where: short stacking energy: -32.672
Base-Backbone interact. energy: -0.472
local terms energy: -52.195507
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -4.389
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: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -91.869470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.869470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.869470 (E_RNA)
where:
Base-Base interactions energy: -36.964
where: short stacking energy: -31.393
Base-Backbone interact. energy: 0.063
local terms energy: -54.968974
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -5.395
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: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -81.944559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.944559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.944559 (E_RNA)
where:
Base-Base interactions energy: -29.493
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.015
local terms energy: -52.435796
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -6.417
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: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -85.175675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.175675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.175675 (E_RNA)
where:
Base-Base interactions energy: -41.663
where: short stacking energy: -37.572
Base-Backbone interact. energy: -1.371
local terms energy: -42.142211
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -5.024
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -81.708059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.708059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.708059 (E_RNA)
where:
Base-Base interactions energy: -34.458
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.124
local terms energy: -47.126092
where:
bonds (distance) C4'-P energy: -7.267
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -213.400587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.400587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.400587 (E_RNA)
where:
Base-Base interactions energy: -129.949
where: short stacking energy: -72.839
Base-Backbone interact. energy: 0.616
local terms energy: -84.067998
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -190.605421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.605421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.605421 (E_RNA)
where:
Base-Base interactions energy: -113.518
where: short stacking energy: -49.648
Base-Backbone interact. energy: -0.864
local terms energy: -76.222979
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -166.674581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.674581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.674581 (E_RNA)
where:
Base-Base interactions energy: -98.965
where: short stacking energy: -49.591
Base-Backbone interact. energy: -0.046
local terms energy: -67.663965
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -14.317
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: 432
Temperature: 1.050000
Total energy: -192.580457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.580457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.580457 (E_RNA)
where:
Base-Base interactions energy: -117.756
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.509
local terms energy: -74.314652
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -153.588093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.588093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.588093 (E_RNA)
where:
Base-Base interactions energy: -92.106
where: short stacking energy: -53.283
Base-Backbone interact. energy: -0.040
local terms energy: -61.442460
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -144.179225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.179225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.179225 (E_RNA)
where:
Base-Base interactions energy: -84.774
where: short stacking energy: -45.418
Base-Backbone interact. energy: -0.244
local terms energy: -59.161128
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -8.902
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: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -90.186780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.186780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.186780 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -19.568
Base-Backbone interact. energy: -0.699
local terms energy: -51.452492
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: 0.997
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: 432
Temperature: 1.250000
Total energy: -78.758251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.758251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.758251 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -28.503
Base-Backbone interact. energy: -0.210
local terms energy: -44.840760
where:
bonds (distance) C4'-P energy: -7.305
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -91.163025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.163025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.163025 (E_RNA)
where:
Base-Base interactions energy: -41.443
where: short stacking energy: -41.443
Base-Backbone interact. energy: -0.104
local terms energy: -49.616020
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -84.285414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.285414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.285414 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.233
local terms energy: -45.615965
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -4.213
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: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -218.277206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.277206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.277206 (E_RNA)
where:
Base-Base interactions energy: -139.770
where: short stacking energy: -69.962
Base-Backbone interact. energy: -0.048
local terms energy: -78.459064
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.692
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: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -178.987340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.987340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.987340 (E_RNA)
where:
Base-Base interactions energy: -114.470
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.008
local terms energy: -64.509466
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -10.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -193.373344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.373344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.373344 (E_RNA)
where:
Base-Base interactions energy: -125.251
where: short stacking energy: -57.660
Base-Backbone interact. energy: -0.081
local terms energy: -68.041065
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -9.630
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: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -195.898127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.898127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.898127 (E_RNA)
where:
Base-Base interactions energy: -123.386
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.275
local terms energy: -72.237573
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -148.540567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.540567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.540567 (E_RNA)
where:
Base-Base interactions energy: -75.723
where: short stacking energy: -40.461
Base-Backbone interact. energy: -0.777
local terms energy: -72.040505
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -150.096654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.096654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.096654 (E_RNA)
where:
Base-Base interactions energy: -89.087
where: short stacking energy: -48.498
Base-Backbone interact. energy: 1.161
local terms energy: -62.170222
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -6.224
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: 433
Temperature: 1.200000
Total energy: -114.108629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.108629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.108629 (E_RNA)
where:
Base-Base interactions energy: -57.757
where: short stacking energy: -34.868
Base-Backbone interact. energy: 0.099
local terms energy: -56.450162
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -84.227841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.227841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.227841 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -30.728
Base-Backbone interact. energy: -0.014
local terms energy: -52.553657
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -86.403244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.403244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.403244 (E_RNA)
where:
Base-Base interactions energy: -42.336
where: short stacking energy: -35.558
Base-Backbone interact. energy: -0.332
local terms energy: -43.735413
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -7.886
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -76.169376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.169376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.169376 (E_RNA)
where:
Base-Base interactions energy: -26.594
where: short stacking energy: -25.491
Base-Backbone interact. energy: -0.119
local terms energy: -49.457152
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -4.253
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: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -210.954827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.954827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.954827 (E_RNA)
where:
Base-Base interactions energy: -136.900
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.071
local terms energy: -73.983549
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -189.930793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.930793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.930793 (E_RNA)
where:
Base-Base interactions energy: -116.253
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.011
local terms energy: -73.666844
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -185.968059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.968059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.968059 (E_RNA)
where:
Base-Base interactions energy: -111.541
where: short stacking energy: -60.267
Base-Backbone interact. energy: -0.192
local terms energy: -74.234684
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -13.885
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: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -179.362662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.362662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.362662 (E_RNA)
where:
Base-Base interactions energy: -104.305
where: short stacking energy: -54.900
Base-Backbone interact. energy: -0.015
local terms energy: -75.043225
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -152.805781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.805781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.805781 (E_RNA)
where:
Base-Base interactions energy: -86.459
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.042
local terms energy: -66.304861
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -13.270
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: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -109.033353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.033353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.033353 (E_RNA)
where:
Base-Base interactions energy: -50.594
where: short stacking energy: -39.018
Base-Backbone interact. energy: -1.376
local terms energy: -57.063045
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -95.907742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.907742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.907742 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -33.563
Base-Backbone interact. energy: -0.912
local terms energy: -61.432588
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -5.332
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: 434
Temperature: 1.250000
Total energy: -93.972989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.972989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.972989 (E_RNA)
where:
Base-Base interactions energy: -44.976
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.232
local terms energy: -48.765363
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -80.731065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.731065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.731065 (E_RNA)
where:
Base-Base interactions energy: -36.787
where: short stacking energy: -36.694
Base-Backbone interact. energy: -0.109
local terms energy: -43.834944
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -1.115
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -84.787077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.787077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.787077 (E_RNA)
where:
Base-Base interactions energy: -41.844
where: short stacking energy: -20.432
Base-Backbone interact. energy: -0.716
local terms energy: -42.226719
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -216.253413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.253413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.253413 (E_RNA)
where:
Base-Base interactions energy: -132.709
where: short stacking energy: -64.143
Base-Backbone interact. energy: -0.013
local terms energy: -83.531454
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -10.389
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: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -202.996468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.996468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.996468 (E_RNA)
where:
Base-Base interactions energy: -131.499
where: short stacking energy: -63.496
Base-Backbone interact. energy: -1.112
local terms energy: -70.384900
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -9.226
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: 3, replica: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -177.034427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.034427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.034427 (E_RNA)
where:
Base-Base interactions energy: -103.133
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.195
local terms energy: -73.706880
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -168.905303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.905303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.905303 (E_RNA)
where:
Base-Base interactions energy: -103.362
where: short stacking energy: -57.076
Base-Backbone interact. energy: -0.193
local terms energy: -65.350174
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -159.924571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.924571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.924571 (E_RNA)
where:
Base-Base interactions energy: -91.911
where: short stacking energy: -46.149
Base-Backbone interact. energy: -0.076
local terms energy: -67.937660
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -102.670699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.670699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.670699 (E_RNA)
where:
Base-Base interactions energy: -40.403
where: short stacking energy: -39.037
Base-Backbone interact. energy: -0.144
local terms energy: -62.123570
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -4.336
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: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -93.323927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.323927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.323927 (E_RNA)
where:
Base-Base interactions energy: -37.608
where: short stacking energy: -36.716
Base-Backbone interact. energy: -0.119
local terms energy: -55.597075
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -94.855282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.855282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.855282 (E_RNA)
where:
Base-Base interactions energy: -39.742
where: short stacking energy: -39.742
Base-Backbone interact. energy: -0.093
local terms energy: -55.020068
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -82.323155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.323155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.323155 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -18.268
Base-Backbone interact. energy: -0.142
local terms energy: -51.019779
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -80.502762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.502762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.502762 (E_RNA)
where:
Base-Base interactions energy: -47.308
where: short stacking energy: -26.085
Base-Backbone interact. energy: 0.248
local terms energy: -33.442193
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -217.807825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.807825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.807825 (E_RNA)
where:
Base-Base interactions energy: -143.273
where: short stacking energy: -64.924
Base-Backbone interact. energy: 0.473
local terms energy: -75.007888
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -210.802000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.802000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.802000 (E_RNA)
where:
Base-Base interactions energy: -138.925
where: short stacking energy: -57.697
Base-Backbone interact. energy: 0.028
local terms energy: -71.905515
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -11.052
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: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -194.074612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.074612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.074612 (E_RNA)
where:
Base-Base interactions energy: -123.275
where: short stacking energy: -65.887
Base-Backbone interact. energy: 2.435
local terms energy: -73.234606
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -174.611364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.611364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.611364 (E_RNA)
where:
Base-Base interactions energy: -97.712
where: short stacking energy: -52.658
Base-Backbone interact. energy: -0.395
local terms energy: -76.504558
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -93.533427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.533427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.533427 (E_RNA)
where:
Base-Base interactions energy: -38.440
where: short stacking energy: -37.758
Base-Backbone interact. energy: -0.370
local terms energy: -54.723879
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -153.369592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.369592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.369592 (E_RNA)
where:
Base-Base interactions energy: -97.595
where: short stacking energy: -49.851
Base-Backbone interact. energy: -0.364
local terms energy: -55.410600
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -98.979210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.979210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.979210 (E_RNA)
where:
Base-Base interactions energy: -47.701
where: short stacking energy: -47.166
Base-Backbone interact. energy: -0.024
local terms energy: -51.254854
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -98.302150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.302150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.302150 (E_RNA)
where:
Base-Base interactions energy: -37.514
where: short stacking energy: -37.261
Base-Backbone interact. energy: -0.038
local terms energy: -60.750842
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -76.721921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.721921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.721921 (E_RNA)
where:
Base-Base interactions energy: -32.630
where: short stacking energy: -29.672
Base-Backbone interact. energy: -0.157
local terms energy: -43.935533
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: 0.921
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: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -73.914086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.914086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.914086 (E_RNA)
where:
Base-Base interactions energy: -25.577
where: short stacking energy: -24.993
Base-Backbone interact. energy: 0.526
local terms energy: -48.862488
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -6.811
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: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -213.991392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.991392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.991392 (E_RNA)
where:
Base-Base interactions energy: -141.213
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.039
local terms energy: -72.739124
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -18.704
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: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -204.107588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.107588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.107588 (E_RNA)
where:
Base-Base interactions energy: -137.163
where: short stacking energy: -59.052
Base-Backbone interact. energy: -0.177
local terms energy: -66.767976
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -3.793
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -205.279242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.279242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.279242 (E_RNA)
where:
Base-Base interactions energy: -135.802
where: short stacking energy: -60.076
Base-Backbone interact. energy: -0.184
local terms energy: -69.293489
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -174.181526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.181526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.181526 (E_RNA)
where:
Base-Base interactions energy: -107.489
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.312
local terms energy: -66.380073
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -108.502805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.502805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.502805 (E_RNA)
where:
Base-Base interactions energy: -46.634
where: short stacking energy: -40.914
Base-Backbone interact. energy: -0.853
local terms energy: -61.016447
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -10.739
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: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -105.260818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.260818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.260818 (E_RNA)
where:
Base-Base interactions energy: -56.264
where: short stacking energy: -30.661
Base-Backbone interact. energy: -0.960
local terms energy: -48.036842
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -7.452
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: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -152.735327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.735327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.735327 (E_RNA)
where:
Base-Base interactions energy: -88.015
where: short stacking energy: -50.193
Base-Backbone interact. energy: 0.060
local terms energy: -64.780484
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -84.356284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.356284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.356284 (E_RNA)
where:
Base-Base interactions energy: -39.302
where: short stacking energy: -39.302
Base-Backbone interact. energy: -0.779
local terms energy: -44.276122
where:
bonds (distance) C4'-P energy: -4.618
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -77.097607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.097607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.097607 (E_RNA)
where:
Base-Base interactions energy: -28.182
where: short stacking energy: -15.135
Base-Backbone interact. energy: -0.401
local terms energy: -48.514597
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -84.237080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.237080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.237080 (E_RNA)
where:
Base-Base interactions energy: -32.857
where: short stacking energy: -31.714
Base-Backbone interact. energy: -0.390
local terms energy: -50.990759
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -4.139
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: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -217.241594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.241594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.241594 (E_RNA)
where:
Base-Base interactions energy: -133.733
where: short stacking energy: -66.531
Base-Backbone interact. energy: -0.593
local terms energy: -82.915797
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -200.438195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.438195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.438195 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.401
local terms energy: -69.627611
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.191
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: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -208.906109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.906109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.906109 (E_RNA)
where:
Base-Base interactions energy: -132.081
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.137
local terms energy: -76.687380
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.729
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: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -166.696608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.696608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.696608 (E_RNA)
where:
Base-Base interactions energy: -102.323
where: short stacking energy: -48.849
Base-Backbone interact. energy: 1.008
local terms energy: -65.381586
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -107.290064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.290064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.290064 (E_RNA)
where:
Base-Base interactions energy: -53.033
where: short stacking energy: -35.380
Base-Backbone interact. energy: -0.291
local terms energy: -53.965712
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -90.896729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.896729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.896729 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.088
local terms energy: -47.521829
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -132.796166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.796166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.796166 (E_RNA)
where:
Base-Base interactions energy: -73.538
where: short stacking energy: -42.795
Base-Backbone interact. energy: -0.541
local terms energy: -58.717872
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -89.307168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.307168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.307168 (E_RNA)
where:
Base-Base interactions energy: -38.434
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.051
local terms energy: -50.822352
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -84.116960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116960 (E_RNA)
where:
Base-Base interactions energy: -40.533
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.319
local terms energy: -43.264818
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -85.242157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.242157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.242157 (E_RNA)
where:
Base-Base interactions energy: -36.655
where: short stacking energy: -23.117
Base-Backbone interact. energy: -0.967
local terms energy: -47.619628
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -214.767522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.767522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.767522 (E_RNA)
where:
Base-Base interactions energy: -136.588
where: short stacking energy: -77.198
Base-Backbone interact. energy: -0.000
local terms energy: -78.178860
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -208.129843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.129843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.129843 (E_RNA)
where:
Base-Base interactions energy: -137.065
where: short stacking energy: -58.878
Base-Backbone interact. energy: 2.277
local terms energy: -73.342197
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -206.616624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.616624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.616624 (E_RNA)
where:
Base-Base interactions energy: -135.620
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.550
local terms energy: -70.446674
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -158.724367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.724367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.724367 (E_RNA)
where:
Base-Base interactions energy: -100.193
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.151
local terms energy: -58.379641
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -96.404684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.404684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.404684 (E_RNA)
where:
Base-Base interactions energy: -43.868
where: short stacking energy: -27.753
Base-Backbone interact. energy: -0.405
local terms energy: -52.131437
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -11.066
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: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -96.189535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.189535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.189535 (E_RNA)
where:
Base-Base interactions energy: -43.217
where: short stacking energy: -39.184
Base-Backbone interact. energy: -0.072
local terms energy: -52.901103
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -102.190326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.190326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.190326 (E_RNA)
where:
Base-Base interactions energy: -49.108
where: short stacking energy: -41.761
Base-Backbone interact. energy: -0.045
local terms energy: -53.037314
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -85.893518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.893518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.893518 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.017
local terms energy: -45.769590
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: 1.178
tors. eta vs tors. theta energy: -8.944
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: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -77.540261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.540261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.540261 (E_RNA)
where:
Base-Base interactions energy: -30.752
where: short stacking energy: -24.711
Base-Backbone interact. energy: -0.140
local terms energy: -46.648549
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -1.350
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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -84.230542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.230542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.230542 (E_RNA)
where:
Base-Base interactions energy: -34.821
where: short stacking energy: -27.486
Base-Backbone interact. energy: -0.208
local terms energy: -49.202277
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -209.916245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.916245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.916245 (E_RNA)
where:
Base-Base interactions energy: -138.309
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.105
local terms energy: -71.502656
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -212.577452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.577452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.577452 (E_RNA)
where:
Base-Base interactions energy: -135.666
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.008
local terms energy: -76.904203
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -183.980301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.980301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.980301 (E_RNA)
where:
Base-Base interactions energy: -111.862
where: short stacking energy: -66.419
Base-Backbone interact. energy: -0.128
local terms energy: -71.990571
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -204.838897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.838897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.838897 (E_RNA)
where:
Base-Base interactions energy: -131.566
where: short stacking energy: -64.649
Base-Backbone interact. energy: -0.047
local terms energy: -73.225681
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -108.840250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.840250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.840250 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -49.086
Base-Backbone interact. energy: -0.135
local terms energy: -59.619372
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -92.908656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.908656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.908656 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -30.513
Base-Backbone interact. energy: -0.613
local terms energy: -61.782496
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -92.639164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.639164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.639164 (E_RNA)
where:
Base-Base interactions energy: -41.890
where: short stacking energy: -41.412
Base-Backbone interact. energy: -0.194
local terms energy: -50.555324
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -92.448446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.448446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.448446 (E_RNA)
where:
Base-Base interactions energy: -37.473
where: short stacking energy: -37.473
Base-Backbone interact. energy: -0.131
local terms energy: -54.844449
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -83.386821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.386821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.386821 (E_RNA)
where:
Base-Base interactions energy: -34.861
where: short stacking energy: -25.463
Base-Backbone interact. energy: -0.098
local terms energy: -48.427937
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -7.446
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -4.918
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: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -95.130711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.130711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.130711 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -37.872
Base-Backbone interact. energy: -0.035
local terms energy: -57.223536
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -208.812838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.812838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.812838 (E_RNA)
where:
Base-Base interactions energy: -136.278
where: short stacking energy: -63.841
Base-Backbone interact. energy: -0.088
local terms energy: -72.446741
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -205.543248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.543248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.543248 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.001
local terms energy: -76.260767
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -184.581850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.581850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.581850 (E_RNA)
where:
Base-Base interactions energy: -114.750
where: short stacking energy: -67.442
Base-Backbone interact. energy: -0.120
local terms energy: -69.711616
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -183.338454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.338454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.338454 (E_RNA)
where:
Base-Base interactions energy: -107.798
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.767
local terms energy: -74.774206
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -106.064389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.064389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.064389 (E_RNA)
where:
Base-Base interactions energy: -46.783
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.096
local terms energy: -59.184623
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -99.472434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.472434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.472434 (E_RNA)
where:
Base-Base interactions energy: -51.702
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.263
local terms energy: -47.506639
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -100.511957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.511957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.511957 (E_RNA)
where:
Base-Base interactions energy: -56.931
where: short stacking energy: -41.194
Base-Backbone interact. energy: -0.868
local terms energy: -42.713191
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -88.734078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.734078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.734078 (E_RNA)
where:
Base-Base interactions energy: -30.425
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.730
local terms energy: -57.578725
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -9.110
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: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -76.497191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.497191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.497191 (E_RNA)
where:
Base-Base interactions energy: -25.250
where: short stacking energy: -22.607
Base-Backbone interact. energy: -0.147
local terms energy: -51.100843
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -8.728
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -78.699956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.699956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.699956 (E_RNA)
where:
Base-Base interactions energy: -30.853
where: short stacking energy: -23.457
Base-Backbone interact. energy: -0.230
local terms energy: -47.617476
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -6.226
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: 442
Temperature: 0.900000
Total energy: -221.391710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.391710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.391710 (E_RNA)
where:
Base-Base interactions energy: -141.021
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.142
local terms energy: -80.229197
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -13.108
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: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -202.460022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.460022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.460022 (E_RNA)
where:
Base-Base interactions energy: -127.604
where: short stacking energy: -57.385
Base-Backbone interact. energy: -0.556
local terms energy: -74.300433
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -13.627
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: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -193.142406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.142406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.142406 (E_RNA)
where:
Base-Base interactions energy: -118.511
where: short stacking energy: -59.245
Base-Backbone interact. energy: 0.003
local terms energy: -74.633510
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -171.980363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.980363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.980363 (E_RNA)
where:
Base-Base interactions energy: -98.352
where: short stacking energy: -57.937
Base-Backbone interact. energy: 2.706
local terms energy: -76.334438
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -117.755233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.755233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.755233 (E_RNA)
where:
Base-Base interactions energy: -68.398
where: short stacking energy: -41.199
Base-Backbone interact. energy: 0.242
local terms energy: -49.598682
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -107.520455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.520455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.520455 (E_RNA)
where:
Base-Base interactions energy: -43.893
where: short stacking energy: -38.090
Base-Backbone interact. energy: -0.081
local terms energy: -63.545981
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -88.963116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.963116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.963116 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.194
local terms energy: -47.864478
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -1.673
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: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -85.918467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.918467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.918467 (E_RNA)
where:
Base-Base interactions energy: -38.092
where: short stacking energy: -33.148
Base-Backbone interact. energy: -0.503
local terms energy: -47.324187
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -86.863551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.863551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.863551 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -24.280
Base-Backbone interact. energy: -0.162
local terms energy: -47.239999
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -81.498680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.498680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.498680 (E_RNA)
where:
Base-Base interactions energy: -33.902
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.209
local terms energy: -47.387111
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -211.087789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.087789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.087789 (E_RNA)
where:
Base-Base interactions energy: -136.488
where: short stacking energy: -73.566
Base-Backbone interact. energy: -0.042
local terms energy: -74.558075
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -194.552439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.552439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.552439 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -47.873
Base-Backbone interact. energy: -0.244
local terms energy: -65.367533
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -196.648629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.648629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.648629 (E_RNA)
where:
Base-Base interactions energy: -128.443
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.461
local terms energy: -67.745506
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -7.549
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: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -171.399664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.399664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.399664 (E_RNA)
where:
Base-Base interactions energy: -110.060
where: short stacking energy: -59.360
Base-Backbone interact. energy: -0.007
local terms energy: -61.332861
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -132.802346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.802346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.802346 (E_RNA)
where:
Base-Base interactions energy: -65.421
where: short stacking energy: -52.972
Base-Backbone interact. energy: -0.008
local terms energy: -67.372818
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.875
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: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -93.207659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.207659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.207659 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.183
local terms energy: -58.704139
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -2.643
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: 443
Temperature: 1.200000
Total energy: -89.140556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.140556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.140556 (E_RNA)
where:
Base-Base interactions energy: -40.552
where: short stacking energy: -24.187
Base-Backbone interact. energy: -0.146
local terms energy: -48.441810
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -123.362936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.362936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.362936 (E_RNA)
where:
Base-Base interactions energy: -63.901
where: short stacking energy: -40.631
Base-Backbone interact. energy: -0.207
local terms energy: -59.254984
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -7.129
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: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -72.015783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.015783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.015783 (E_RNA)
where:
Base-Base interactions energy: -31.980
where: short stacking energy: -29.871
Base-Backbone interact. energy: -0.258
local terms energy: -39.778265
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -3.147
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: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -91.920046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.920046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.920046 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.081
local terms energy: -58.564717
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -7.857
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -209.881063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.881063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.881063 (E_RNA)
where:
Base-Base interactions energy: -139.954
where: short stacking energy: -55.611
Base-Backbone interact. energy: -0.235
local terms energy: -69.692275
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -12.402
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: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -209.107864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107864 (E_RNA)
where:
Base-Base interactions energy: -127.096
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.273
local terms energy: -81.738530
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -171.023122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.023122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.023122 (E_RNA)
where:
Base-Base interactions energy: -106.990
where: short stacking energy: -53.210
Base-Backbone interact. energy: -0.285
local terms energy: -63.747178
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -191.120224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.120224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.120224 (E_RNA)
where:
Base-Base interactions energy: -120.228
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.380
local terms energy: -70.512576
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -109.795504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.795504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.795504 (E_RNA)
where:
Base-Base interactions energy: -49.995
where: short stacking energy: -49.302
Base-Backbone interact. energy: -0.118
local terms energy: -59.682699
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -130.679167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.679167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.679167 (E_RNA)
where:
Base-Base interactions energy: -72.132
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.200
local terms energy: -58.347202
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -109.012299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.012299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.012299 (E_RNA)
where:
Base-Base interactions energy: -54.531
where: short stacking energy: -43.687
Base-Backbone interact. energy: -0.362
local terms energy: -54.119764
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -7.831
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -112.341973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.341973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.341973 (E_RNA)
where:
Base-Base interactions energy: -71.165
where: short stacking energy: -31.379
Base-Backbone interact. energy: -0.070
local terms energy: -41.106972
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -1.521
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -84.986518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.986518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.986518 (E_RNA)
where:
Base-Base interactions energy: -37.534
where: short stacking energy: -37.534
Base-Backbone interact. energy: -0.097
local terms energy: -47.356115
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -7.044
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: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -70.961956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.961956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.961956 (E_RNA)
where:
Base-Base interactions energy: -29.714
where: short stacking energy: -25.179
Base-Backbone interact. energy: -0.297
local terms energy: -40.950378
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: 2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -201.938285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.938285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.938285 (E_RNA)
where:
Base-Base interactions energy: -133.385
where: short stacking energy: -51.766
Base-Backbone interact. energy: -0.102
local terms energy: -68.451501
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -205.939770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.939770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.939770 (E_RNA)
where:
Base-Base interactions energy: -136.722
where: short stacking energy: -68.874
Base-Backbone interact. energy: -0.599
local terms energy: -68.618360
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.958
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: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -173.354464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.354464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.354464 (E_RNA)
where:
Base-Base interactions energy: -110.792
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.075
local terms energy: -62.487065
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -164.590118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.590118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.590118 (E_RNA)
where:
Base-Base interactions energy: -93.538
where: short stacking energy: -53.343
Base-Backbone interact. energy: -0.108
local terms energy: -70.944049
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -106.801334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.801334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.801334 (E_RNA)
where:
Base-Base interactions energy: -59.176
where: short stacking energy: -39.516
Base-Backbone interact. energy: -0.216
local terms energy: -47.409820
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -107.018326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.018326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.018326 (E_RNA)
where:
Base-Base interactions energy: -48.330
where: short stacking energy: -36.667
Base-Backbone interact. energy: -0.182
local terms energy: -58.506464
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -4.937
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: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -120.555587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.555587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.555587 (E_RNA)
where:
Base-Base interactions energy: -57.343
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.341
local terms energy: -62.872140
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -97.335904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.335904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.335904 (E_RNA)
where:
Base-Base interactions energy: -43.248
where: short stacking energy: -43.248
Base-Backbone interact. energy: 0.862
local terms energy: -54.949471
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -4.646
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: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -86.120853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.120853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.120853 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -26.069
Base-Backbone interact. energy: -0.101
local terms energy: -45.956518
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -6.658
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: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -99.210229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.210229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.210229 (E_RNA)
where:
Base-Base interactions energy: -59.152
where: short stacking energy: -43.327
Base-Backbone interact. energy: -0.458
local terms energy: -39.600513
where:
bonds (distance) C4'-P energy: -5.032
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -216.080208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.080208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.080208 (E_RNA)
where:
Base-Base interactions energy: -137.295
where: short stacking energy: -65.052
Base-Backbone interact. energy: -0.513
local terms energy: -78.272115
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -197.486315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.486315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.486315 (E_RNA)
where:
Base-Base interactions energy: -129.202
where: short stacking energy: -56.479
Base-Backbone interact. energy: -0.615
local terms energy: -67.668772
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -9.900
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: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -169.915928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.915928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.915928 (E_RNA)
where:
Base-Base interactions energy: -99.390
where: short stacking energy: -55.575
Base-Backbone interact. energy: -0.136
local terms energy: -70.389916
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -177.274070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.274070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.274070 (E_RNA)
where:
Base-Base interactions energy: -120.963
where: short stacking energy: -62.851
Base-Backbone interact. energy: 0.348
local terms energy: -56.658457
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -102.639583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.639583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.639583 (E_RNA)
where:
Base-Base interactions energy: -39.946
where: short stacking energy: -39.946
Base-Backbone interact. energy: -0.301
local terms energy: -62.392060
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -101.361402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.361402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.361402 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -40.683
Base-Backbone interact. energy: -0.054
local terms energy: -56.427618
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -8.718
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: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -90.103279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.103279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.103279 (E_RNA)
where:
Base-Base interactions energy: -36.339
where: short stacking energy: -28.088
Base-Backbone interact. energy: -0.578
local terms energy: -53.185835
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -91.201288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.201288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.201288 (E_RNA)
where:
Base-Base interactions energy: -34.877
where: short stacking energy: -28.195
Base-Backbone interact. energy: -0.532
local terms energy: -55.791783
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -83.585921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.585921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.585921 (E_RNA)
where:
Base-Base interactions energy: -37.712
where: short stacking energy: -31.336
Base-Backbone interact. energy: -0.962
local terms energy: -44.911751
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: 0.238
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: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -86.355728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.355728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.355728 (E_RNA)
where:
Base-Base interactions energy: -43.307
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.127
local terms energy: -42.922428
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: 0.217
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -213.037132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.037132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.037132 (E_RNA)
where:
Base-Base interactions energy: -133.422
where: short stacking energy: -74.114
Base-Backbone interact. energy: -0.000
local terms energy: -79.614698
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -184.254469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.254469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.254469 (E_RNA)
where:
Base-Base interactions energy: -111.017
where: short stacking energy: -61.029
Base-Backbone interact. energy: -0.547
local terms energy: -72.690259
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -193.823118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.823118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.823118 (E_RNA)
where:
Base-Base interactions energy: -120.553
where: short stacking energy: -61.613
Base-Backbone interact. energy: -0.842
local terms energy: -72.428566
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -11.546
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: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -164.273102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.273102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.273102 (E_RNA)
where:
Base-Base interactions energy: -105.336
where: short stacking energy: -45.337
Base-Backbone interact. energy: 0.120
local terms energy: -59.057095
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.709
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: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -111.761841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.761841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.761841 (E_RNA)
where:
Base-Base interactions energy: -57.860
where: short stacking energy: -38.667
Base-Backbone interact. energy: -0.110
local terms energy: -53.791936
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -5.868
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: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -103.803197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.803197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.803197 (E_RNA)
where:
Base-Base interactions energy: -50.159
where: short stacking energy: -23.231
Base-Backbone interact. energy: 0.854
local terms energy: -54.497375
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -90.807518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.807518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.807518 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -34.056
Base-Backbone interact. energy: -0.211
local terms energy: -56.540296
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -98.990999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.990999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.990999 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -29.266
Base-Backbone interact. energy: -0.388
local terms energy: -59.457175
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -6.111
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: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -80.988620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.988620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.988620 (E_RNA)
where:
Base-Base interactions energy: -29.928
where: short stacking energy: -29.928
Base-Backbone interact. energy: -0.354
local terms energy: -50.706320
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -83.729366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.729366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.729366 (E_RNA)
where:
Base-Base interactions energy: -38.864
where: short stacking energy: -24.699
Base-Backbone interact. energy: -0.237
local terms energy: -44.628178
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -219.204970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.204970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.204970 (E_RNA)
where:
Base-Base interactions energy: -134.430
where: short stacking energy: -74.144
Base-Backbone interact. energy: -0.004
local terms energy: -84.770981
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -14.646
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: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -185.178138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.178138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.178138 (E_RNA)
where:
Base-Base interactions energy: -111.392
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.187
local terms energy: -73.598392
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -188.067936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.067936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.067936 (E_RNA)
where:
Base-Base interactions energy: -117.985
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.091
local terms energy: -69.991968
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -168.374342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.374342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.374342 (E_RNA)
where:
Base-Base interactions energy: -102.153
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.165
local terms energy: -66.055849
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -14.839
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: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -107.274985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.274985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.274985 (E_RNA)
where:
Base-Base interactions energy: -61.622
where: short stacking energy: -36.800
Base-Backbone interact. energy: -0.269
local terms energy: -45.383448
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -115.172840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.172840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.172840 (E_RNA)
where:
Base-Base interactions energy: -63.213
where: short stacking energy: -47.943
Base-Backbone interact. energy: -0.403
local terms energy: -51.557214
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -99.952622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.952622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.952622 (E_RNA)
where:
Base-Base interactions energy: -53.308
where: short stacking energy: -18.512
Base-Backbone interact. energy: -0.270
local terms energy: -46.374500
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -8.440
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: 2.743
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: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -92.396379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.396379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.396379 (E_RNA)
where:
Base-Base interactions energy: -34.356
where: short stacking energy: -30.669
Base-Backbone interact. energy: -0.125
local terms energy: -57.914559
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -0.993
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: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -82.176959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.176959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.176959 (E_RNA)
where:
Base-Base interactions energy: -38.499
where: short stacking energy: -37.690
Base-Backbone interact. energy: -0.839
local terms energy: -42.838864
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -80.284633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.284633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.284633 (E_RNA)
where:
Base-Base interactions energy: -29.798
where: short stacking energy: -20.821
Base-Backbone interact. energy: -0.413
local terms energy: -50.073565
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: 2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -213.907371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.907371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.907371 (E_RNA)
where:
Base-Base interactions energy: -141.517
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.216
local terms energy: -72.174357
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -203.396939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.396939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.396939 (E_RNA)
where:
Base-Base interactions energy: -140.318
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.061
local terms energy: -63.018080
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -181.298601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.298601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.298601 (E_RNA)
where:
Base-Base interactions energy: -111.194
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.665
local terms energy: -69.439902
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -184.172415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.172415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.172415 (E_RNA)
where:
Base-Base interactions energy: -116.597
where: short stacking energy: -56.383
Base-Backbone interact. energy: -0.329
local terms energy: -67.247077
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -103.868741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.868741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.868741 (E_RNA)
where:
Base-Base interactions energy: -53.088
where: short stacking energy: -28.710
Base-Backbone interact. energy: -0.110
local terms energy: -50.670924
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -10.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -108.422701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.422701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.422701 (E_RNA)
where:
Base-Base interactions energy: -56.597
where: short stacking energy: -37.766
Base-Backbone interact. energy: -0.379
local terms energy: -51.447045
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -97.667314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.667314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.667314 (E_RNA)
where:
Base-Base interactions energy: -45.247
where: short stacking energy: -28.404
Base-Backbone interact. energy: -0.107
local terms energy: -52.313299
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -3.092
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: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -106.117464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.117464 (E_RNA)
where:
Base-Base interactions energy: -53.081
where: short stacking energy: -29.702
Base-Backbone interact. energy: -0.091
local terms energy: -52.945398
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -84.042502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.042502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.042502 (E_RNA)
where:
Base-Base interactions energy: -37.798
where: short stacking energy: -37.043
Base-Backbone interact. energy: -0.155
local terms energy: -46.089388
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -71.957116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.957116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.957116 (E_RNA)
where:
Base-Base interactions energy: -27.300
where: short stacking energy: -25.864
Base-Backbone interact. energy: -0.014
local terms energy: -44.643584
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: 0.191
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -208.198346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.198346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.198346 (E_RNA)
where:
Base-Base interactions energy: -135.030
where: short stacking energy: -62.419
Base-Backbone interact. energy: -0.084
local terms energy: -73.084239
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -202.098232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.098232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.098232 (E_RNA)
where:
Base-Base interactions energy: -136.181
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.006
local terms energy: -65.911076
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -177.114575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.114575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.114575 (E_RNA)
where:
Base-Base interactions energy: -108.609
where: short stacking energy: -57.403
Base-Backbone interact. energy: -0.115
local terms energy: -68.389942
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -7.818
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: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -154.490318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.490318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.490318 (E_RNA)
where:
Base-Base interactions energy: -88.568
where: short stacking energy: -40.497
Base-Backbone interact. energy: 0.273
local terms energy: -66.195189
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -7.818
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: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -109.871533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.871533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.871533 (E_RNA)
where:
Base-Base interactions energy: -54.869
where: short stacking energy: -40.731
Base-Backbone interact. energy: -0.281
local terms energy: -54.721303
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -116.478436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.478436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.478436 (E_RNA)
where:
Base-Base interactions energy: -51.956
where: short stacking energy: -43.168
Base-Backbone interact. energy: -0.172
local terms energy: -64.350274
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -9.132
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: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -126.689367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.689367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.689367 (E_RNA)
where:
Base-Base interactions energy: -76.781
where: short stacking energy: -49.635
Base-Backbone interact. energy: 0.058
local terms energy: -49.966534
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -87.970820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.970820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.970820 (E_RNA)
where:
Base-Base interactions energy: -33.219
where: short stacking energy: -29.362
Base-Backbone interact. energy: -0.213
local terms energy: -54.538707
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -4.533
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: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -85.339401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.339401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.339401 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.738
local terms energy: -45.036600
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -8.608
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -3.648
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: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -87.830650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.830650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.830650 (E_RNA)
where:
Base-Base interactions energy: -36.809
where: short stacking energy: -33.837
Base-Backbone interact. energy: -0.485
local terms energy: -50.536422
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -5.072
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: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -210.284140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.284140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.284140 (E_RNA)
where:
Base-Base interactions energy: -136.193
where: short stacking energy: -70.788
Base-Backbone interact. energy: -0.540
local terms energy: -73.551157
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -192.584911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.584911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.584911 (E_RNA)
where:
Base-Base interactions energy: -124.526
where: short stacking energy: -53.742
Base-Backbone interact. energy: -0.516
local terms energy: -67.543113
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -183.416629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.416629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.416629 (E_RNA)
where:
Base-Base interactions energy: -112.335
where: short stacking energy: -66.526
Base-Backbone interact. energy: -0.141
local terms energy: -70.940604
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -11.918
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: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -163.233550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.233550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.233550 (E_RNA)
where:
Base-Base interactions energy: -97.572
where: short stacking energy: -44.651
Base-Backbone interact. energy: -1.354
local terms energy: -64.307385
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -150.768885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.768885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.768885 (E_RNA)
where:
Base-Base interactions energy: -82.159
where: short stacking energy: -50.590
Base-Backbone interact. energy: -0.097
local terms energy: -68.512847
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -115.359731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.359731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.359731 (E_RNA)
where:
Base-Base interactions energy: -52.720
where: short stacking energy: -39.617
Base-Backbone interact. energy: -0.053
local terms energy: -62.586518
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.832
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: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -97.507352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.507352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.507352 (E_RNA)
where:
Base-Base interactions energy: -50.753
where: short stacking energy: -35.948
Base-Backbone interact. energy: -1.812
local terms energy: -44.942921
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -88.019328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.019328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.019328 (E_RNA)
where:
Base-Base interactions energy: -33.913
where: short stacking energy: -32.390
Base-Backbone interact. energy: -0.233
local terms energy: -53.873375
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -105.591355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.591355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.591355 (E_RNA)
where:
Base-Base interactions energy: -53.886
where: short stacking energy: -24.183
Base-Backbone interact. energy: -0.124
local terms energy: -51.581828
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -4.860
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: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -83.959879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.959879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.959879 (E_RNA)
where:
Base-Base interactions energy: -30.297
where: short stacking energy: -29.913
Base-Backbone interact. energy: 0.282
local terms energy: -53.945097
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -206.957227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.957227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.957227 (E_RNA)
where:
Base-Base interactions energy: -135.828
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.161
local terms energy: -70.968081
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -209.381090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.381090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.381090 (E_RNA)
where:
Base-Base interactions energy: -133.333
where: short stacking energy: -61.148
Base-Backbone interact. energy: -0.341
local terms energy: -75.707170
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -6.110
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -175.597130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.597130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.597130 (E_RNA)
where:
Base-Base interactions energy: -107.908
where: short stacking energy: -48.014
Base-Backbone interact. energy: 0.136
local terms energy: -67.825602
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -176.001513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.001513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.001513 (E_RNA)
where:
Base-Base interactions energy: -102.148
where: short stacking energy: -56.661
Base-Backbone interact. energy: -1.272
local terms energy: -72.581461
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -157.283963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.283963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.283963 (E_RNA)
where:
Base-Base interactions energy: -93.329
where: short stacking energy: -42.653
Base-Backbone interact. energy: -0.083
local terms energy: -63.872104
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -5.903
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: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -96.398576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.398576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.398576 (E_RNA)
where:
Base-Base interactions energy: -53.527
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.109
local terms energy: -42.762986
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -93.678136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.678136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.678136 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.192
local terms energy: -58.729819
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -6.962
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: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -87.205398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.205398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.205398 (E_RNA)
where:
Base-Base interactions energy: -45.248
where: short stacking energy: -34.273
Base-Backbone interact. energy: 0.329
local terms energy: -42.285495
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -2.669
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -102.711178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.711178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.711178 (E_RNA)
where:
Base-Base interactions energy: -46.753
where: short stacking energy: -22.134
Base-Backbone interact. energy: -0.403
local terms energy: -55.554868
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -80.517147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.517147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.517147 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -24.193
Base-Backbone interact. energy: -0.020
local terms energy: -46.430289
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -212.278063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.278063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.278063 (E_RNA)
where:
Base-Base interactions energy: -134.184
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.715
local terms energy: -77.379205
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -18.380
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: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -189.891298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.891298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.891298 (E_RNA)
where:
Base-Base interactions energy: -117.861
where: short stacking energy: -66.069
Base-Backbone interact. energy: -0.025
local terms energy: -72.005500
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -15.865
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: 453
Temperature: 1.000000
Total energy: -202.660696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.660696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.660696 (E_RNA)
where:
Base-Base interactions energy: -122.773
where: short stacking energy: -64.255
Base-Backbone interact. energy: 0.192
local terms energy: -80.079734
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -178.731638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.731638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.731638 (E_RNA)
where:
Base-Base interactions energy: -111.128
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.144
local terms energy: -67.459695
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -157.872162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.872162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.872162 (E_RNA)
where:
Base-Base interactions energy: -89.005
where: short stacking energy: -51.350
Base-Backbone interact. energy: -0.327
local terms energy: -68.539988
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -100.840591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.840591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.840591 (E_RNA)
where:
Base-Base interactions energy: -41.411
where: short stacking energy: -29.045
Base-Backbone interact. energy: 1.489
local terms energy: -60.918859
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -8.181
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: 453
Temperature: 1.200000
Total energy: -108.331594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.331594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.331594 (E_RNA)
where:
Base-Base interactions energy: -43.856
where: short stacking energy: -39.706
Base-Backbone interact. energy: 0.013
local terms energy: -64.487853
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -8.923
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: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -92.055611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.055611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.055611 (E_RNA)
where:
Base-Base interactions energy: -41.102
where: short stacking energy: -16.685
Base-Backbone interact. energy: -0.443
local terms energy: -50.510984
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: 2.602
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: 453
Temperature: 1.300000
Total energy: -81.450927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.450927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.450927 (E_RNA)
where:
Base-Base interactions energy: -26.441
where: short stacking energy: -26.324
Base-Backbone interact. energy: -0.179
local terms energy: -54.831097
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -79.181279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.181279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.181279 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.135
local terms energy: -48.860976
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -214.110471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.110471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.110471 (E_RNA)
where:
Base-Base interactions energy: -134.813
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.155
local terms energy: -79.142930
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -208.498442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.498442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.498442 (E_RNA)
where:
Base-Base interactions energy: -130.676
where: short stacking energy: -70.169
Base-Backbone interact. energy: -0.555
local terms energy: -77.267608
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -9.668
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: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -196.128647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.128647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.128647 (E_RNA)
where:
Base-Base interactions energy: -121.096
where: short stacking energy: -66.733
Base-Backbone interact. energy: -0.030
local terms energy: -75.003102
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -172.937029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937029 (E_RNA)
where:
Base-Base interactions energy: -113.261
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.458
local terms energy: -59.217709
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -7.005
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: 454
Temperature: 1.100000
Total energy: -174.946967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.946967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.946967 (E_RNA)
where:
Base-Base interactions energy: -109.278
where: short stacking energy: -46.399
Base-Backbone interact. energy: -0.117
local terms energy: -65.551428
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -108.423899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.423899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.423899 (E_RNA)
where:
Base-Base interactions energy: -49.268
where: short stacking energy: -41.223
Base-Backbone interact. energy: -0.074
local terms energy: -59.082350
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -98.914879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.914879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.914879 (E_RNA)
where:
Base-Base interactions energy: -45.355
where: short stacking energy: -29.917
Base-Backbone interact. energy: -0.225
local terms energy: -53.334560
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -89.813966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813966 (E_RNA)
where:
Base-Base interactions energy: -32.911
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.102
local terms energy: -56.800619
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -76.788121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.788121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.788121 (E_RNA)
where:
Base-Base interactions energy: -28.860
where: short stacking energy: -26.653
Base-Backbone interact. energy: -0.017
local terms energy: -47.911745
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -78.975730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.975730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.975730 (E_RNA)
where:
Base-Base interactions energy: -27.427
where: short stacking energy: -27.427
Base-Backbone interact. energy: -0.172
local terms energy: -51.376829
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -2.861
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: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -214.084278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.084278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.084278 (E_RNA)
where:
Base-Base interactions energy: -139.095
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.032
local terms energy: -74.957032
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -219.412353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.412353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.412353 (E_RNA)
where:
Base-Base interactions energy: -141.672
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.000
local terms energy: -77.739737
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -203.014879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.014879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.014879 (E_RNA)
where:
Base-Base interactions energy: -135.628
where: short stacking energy: -67.039
Base-Backbone interact. energy: -0.045
local terms energy: -67.341769
where:
bonds (distance) C4'-P energy: -6.398
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -20.275
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: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -191.375007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.375007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.375007 (E_RNA)
where:
Base-Base interactions energy: -130.873
where: short stacking energy: -56.594
Base-Backbone interact. energy: -0.951
local terms energy: -59.551663
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -11.409
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: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -165.400685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.400685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.400685 (E_RNA)
where:
Base-Base interactions energy: -105.396
where: short stacking energy: -61.660
Base-Backbone interact. energy: -0.120
local terms energy: -59.884410
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -146.896719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.896719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.896719 (E_RNA)
where:
Base-Base interactions energy: -81.545
where: short stacking energy: -45.747
Base-Backbone interact. energy: -0.083
local terms energy: -65.269614
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -86.458269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.458269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.458269 (E_RNA)
where:
Base-Base interactions energy: -35.739
where: short stacking energy: -34.046
Base-Backbone interact. energy: -0.274
local terms energy: -50.445555
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -3.125
tors. eta vs tors. theta energy: -1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -106.499235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.499235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.499235 (E_RNA)
where:
Base-Base interactions energy: -47.840
where: short stacking energy: -37.562
Base-Backbone interact. energy: 0.887
local terms energy: -59.545846
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -78.663418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.663418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.663418 (E_RNA)
where:
Base-Base interactions energy: -26.512
where: short stacking energy: -19.210
Base-Backbone interact. energy: 1.083
local terms energy: -53.233915
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: 0.314
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: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -84.185769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.185769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.185769 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.176
local terms energy: -50.768814
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -212.751824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.751824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.751824 (E_RNA)
where:
Base-Base interactions energy: -136.287
where: short stacking energy: -66.635
Base-Backbone interact. energy: -1.895
local terms energy: -74.569855
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -9.050
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: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -204.243474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.243474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.243474 (E_RNA)
where:
Base-Base interactions energy: -124.616
where: short stacking energy: -70.853
Base-Backbone interact. energy: -1.295
local terms energy: -78.332724
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -193.652810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.652810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.652810 (E_RNA)
where:
Base-Base interactions energy: -129.822
where: short stacking energy: -59.054
Base-Backbone interact. energy: 1.012
local terms energy: -64.843091
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -14.552
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: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -197.410965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.410965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.410965 (E_RNA)
where:
Base-Base interactions energy: -131.054
where: short stacking energy: -55.967
Base-Backbone interact. energy: -0.107
local terms energy: -66.249618
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -162.270319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.270319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.270319 (E_RNA)
where:
Base-Base interactions energy: -106.136
where: short stacking energy: -57.406
Base-Backbone interact. energy: -0.051
local terms energy: -56.083431
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -13.337
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: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -143.768539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.768539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.768539 (E_RNA)
where:
Base-Base interactions energy: -88.963
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.497
local terms energy: -54.309132
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -6.379
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: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -94.382119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.382119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.382119 (E_RNA)
where:
Base-Base interactions energy: -34.107
where: short stacking energy: -33.275
Base-Backbone interact. energy: -0.189
local terms energy: -60.086482
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -78.424351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.424351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.424351 (E_RNA)
where:
Base-Base interactions energy: -28.546
where: short stacking energy: -23.676
Base-Backbone interact. energy: -0.454
local terms energy: -49.425068
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -92.014571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.014571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.014571 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -35.935
Base-Backbone interact. energy: -0.120
local terms energy: -55.959600
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -95.437714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.437714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.437714 (E_RNA)
where:
Base-Base interactions energy: -49.506
where: short stacking energy: -24.471
Base-Backbone interact. energy: 2.697
local terms energy: -48.628697
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -201.571689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.571689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571689 (E_RNA)
where:
Base-Base interactions energy: -128.059
where: short stacking energy: -64.871
Base-Backbone interact. energy: -0.251
local terms energy: -73.262071
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -16.963
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: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -213.828732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.828732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.828732 (E_RNA)
where:
Base-Base interactions energy: -140.027
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.421
local terms energy: -73.381506
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -199.885198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.885198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.885198 (E_RNA)
where:
Base-Base interactions energy: -114.064
where: short stacking energy: -68.176
Base-Backbone interact. energy: -3.018
local terms energy: -82.803500
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -157.230089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230089 (E_RNA)
where:
Base-Base interactions energy: -98.798
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.197
local terms energy: -58.234473
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -179.776985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.776985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.776985 (E_RNA)
where:
Base-Base interactions energy: -116.788
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.035
local terms energy: -62.953619
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -131.460780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.460780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.460780 (E_RNA)
where:
Base-Base interactions energy: -66.832
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.035
local terms energy: -64.592993
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -88.094071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.094071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.094071 (E_RNA)
where:
Base-Base interactions energy: -39.336
where: short stacking energy: -29.780
Base-Backbone interact. energy: -0.637
local terms energy: -48.120656
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -87.365114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.365114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.365114 (E_RNA)
where:
Base-Base interactions energy: -35.944
where: short stacking energy: -24.108
Base-Backbone interact. energy: -0.508
local terms energy: -50.913031
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -80.672410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.672410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.672410 (E_RNA)
where:
Base-Base interactions energy: -38.837
where: short stacking energy: -31.721
Base-Backbone interact. energy: -0.137
local terms energy: -41.698408
where:
bonds (distance) C4'-P energy: -7.599
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -77.098319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.098319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.098319 (E_RNA)
where:
Base-Base interactions energy: -28.330
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.286
local terms energy: -48.482905
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -205.723578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.723578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.723578 (E_RNA)
where:
Base-Base interactions energy: -135.600
where: short stacking energy: -60.940
Base-Backbone interact. energy: -1.099
local terms energy: -69.024656
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -206.791839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.791839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.791839 (E_RNA)
where:
Base-Base interactions energy: -137.009
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.938
local terms energy: -68.844317
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -191.506535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.506535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.506535 (E_RNA)
where:
Base-Base interactions energy: -120.727
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.415
local terms energy: -70.365115
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -18.062
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: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -162.592824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.592824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.592824 (E_RNA)
where:
Base-Base interactions energy: -97.125
where: short stacking energy: -58.249
Base-Backbone interact. energy: -0.163
local terms energy: -65.304368
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -13.045
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: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -181.929635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.929635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.929635 (E_RNA)
where:
Base-Base interactions energy: -117.992
where: short stacking energy: -57.169
Base-Backbone interact. energy: -0.662
local terms energy: -63.275958
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -155.578843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.578843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.578843 (E_RNA)
where:
Base-Base interactions energy: -86.113
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.019
local terms energy: -69.447085
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -10.235
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: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -88.702071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.702071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.702071 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.242
local terms energy: -56.197861
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -6.588
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: 458
Temperature: 1.250000
Total energy: -93.994106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.994106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.994106 (E_RNA)
where:
Base-Base interactions energy: -46.590
where: short stacking energy: -45.138
Base-Backbone interact. energy: -0.032
local terms energy: -47.372603
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -84.656867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.656867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.656867 (E_RNA)
where:
Base-Base interactions energy: -33.480
where: short stacking energy: -21.108
Base-Backbone interact. energy: -0.590
local terms energy: -50.587273
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: 3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -76.266890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.266890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.266890 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -29.797
Base-Backbone interact. energy: -0.248
local terms energy: -41.301392
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -6.011
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -4.650
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: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -205.478387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.478387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.478387 (E_RNA)
where:
Base-Base interactions energy: -130.839
where: short stacking energy: -54.957
Base-Backbone interact. energy: -0.350
local terms energy: -74.289012
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -199.933039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.933039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.933039 (E_RNA)
where:
Base-Base interactions energy: -121.233
where: short stacking energy: -64.783
Base-Backbone interact. energy: -0.074
local terms energy: -78.626209
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -198.161544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.161544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.161544 (E_RNA)
where:
Base-Base interactions energy: -131.540
where: short stacking energy: -58.203
Base-Backbone interact. energy: -1.133
local terms energy: -65.488067
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -186.008778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.008778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.008778 (E_RNA)
where:
Base-Base interactions energy: -125.061
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.211
local terms energy: -60.736985
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -159.641021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.641021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.641021 (E_RNA)
where:
Base-Base interactions energy: -98.227
where: short stacking energy: -41.648
Base-Backbone interact. energy: -0.142
local terms energy: -61.271489
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -155.979748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.979748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.979748 (E_RNA)
where:
Base-Base interactions energy: -90.073
where: short stacking energy: -54.110
Base-Backbone interact. energy: -0.009
local terms energy: -65.897415
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -8.664
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: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -98.480901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.480901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.480901 (E_RNA)
where:
Base-Base interactions energy: -45.276
where: short stacking energy: -44.862
Base-Backbone interact. energy: -0.108
local terms energy: -53.097160
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -92.813074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.813074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.813074 (E_RNA)
where:
Base-Base interactions energy: -43.817
where: short stacking energy: -23.123
Base-Backbone interact. energy: -0.486
local terms energy: -48.509792
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -74.343256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.343256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.343256 (E_RNA)
where:
Base-Base interactions energy: -35.827
where: short stacking energy: -33.171
Base-Backbone interact. energy: -0.271
local terms energy: -38.245264
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -79.591794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.591794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.591794 (E_RNA)
where:
Base-Base interactions energy: -27.027
where: short stacking energy: -27.027
Base-Backbone interact. energy: 2.110
local terms energy: -54.675248
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -3.854
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: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -210.852695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.852695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.852695 (E_RNA)
where:
Base-Base interactions energy: -139.545
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.131
local terms energy: -71.176765
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -15.025
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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -208.694545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.694545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.694545 (E_RNA)
where:
Base-Base interactions energy: -135.868
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.096
local terms energy: -72.730578
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -197.114395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.114395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.114395 (E_RNA)
where:
Base-Base interactions energy: -124.602
where: short stacking energy: -62.664
Base-Backbone interact. energy: -0.176
local terms energy: -72.335782
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -176.197134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.197134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.197134 (E_RNA)
where:
Base-Base interactions energy: -111.957
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.056
local terms energy: -64.184182
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -167.520618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.520618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.520618 (E_RNA)
where:
Base-Base interactions energy: -101.306
where: short stacking energy: -43.978
Base-Backbone interact. energy: -0.032
local terms energy: -66.183079
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -8.352
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: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -156.292263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.292263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.292263 (E_RNA)
where:
Base-Base interactions energy: -85.997
where: short stacking energy: -49.742
Base-Backbone interact. energy: -0.999
local terms energy: -69.295613
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -97.320875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.320875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.320875 (E_RNA)
where:
Base-Base interactions energy: -44.075
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.399
local terms energy: -52.847042
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -81.665275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.665275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.665275 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -25.545
Base-Backbone interact. energy: -0.665
local terms energy: -45.571437
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.698
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: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -81.102252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.102252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.102252 (E_RNA)
where:
Base-Base interactions energy: -40.558
where: short stacking energy: -35.549
Base-Backbone interact. energy: -1.016
local terms energy: -39.528935
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -3.834
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: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -82.030582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030582 (E_RNA)
where:
Base-Base interactions energy: -29.431
where: short stacking energy: -29.431
Base-Backbone interact. energy: -0.191
local terms energy: -52.408102
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -204.946439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.946439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.946439 (E_RNA)
where:
Base-Base interactions energy: -138.607
where: short stacking energy: -55.800
Base-Backbone interact. energy: -1.571
local terms energy: -64.768626
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -202.426345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.426345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.426345 (E_RNA)
where:
Base-Base interactions energy: -128.803
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.332
local terms energy: -73.291971
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.817
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: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -172.747511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.747511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.747511 (E_RNA)
where:
Base-Base interactions energy: -107.915
where: short stacking energy: -51.315
Base-Backbone interact. energy: -0.089
local terms energy: -64.743936
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -197.260148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.260148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.260148 (E_RNA)
where:
Base-Base interactions energy: -121.284
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.024
local terms energy: -75.952475
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -181.544427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.544427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.544427 (E_RNA)
where:
Base-Base interactions energy: -108.431
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.054
local terms energy: -73.059216
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.448
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: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -146.037183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.037183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.037183 (E_RNA)
where:
Base-Base interactions energy: -80.114
where: short stacking energy: -43.232
Base-Backbone interact. energy: -0.420
local terms energy: -65.503694
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -101.680048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.680048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.680048 (E_RNA)
where:
Base-Base interactions energy: -46.083
where: short stacking energy: -42.588
Base-Backbone interact. energy: -0.317
local terms energy: -55.280003
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -91.451824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.451824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.451824 (E_RNA)
where:
Base-Base interactions energy: -49.238
where: short stacking energy: -28.335
Base-Backbone interact. energy: 0.125
local terms energy: -42.338615
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -106.250092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.250092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.250092 (E_RNA)
where:
Base-Base interactions energy: -64.004
where: short stacking energy: -37.044
Base-Backbone interact. energy: -0.088
local terms energy: -42.158163
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -74.372904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.372904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.372904 (E_RNA)
where:
Base-Base interactions energy: -27.832
where: short stacking energy: -23.644
Base-Backbone interact. energy: 0.179
local terms energy: -46.720166
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -1.358
tors. eta vs tors. theta energy: -2.309
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: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -206.332146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.332146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.332146 (E_RNA)
where:
Base-Base interactions energy: -135.908
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.112
local terms energy: -70.313019
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -208.439071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.439071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.439071 (E_RNA)
where:
Base-Base interactions energy: -128.643
where: short stacking energy: -61.959
Base-Backbone interact. energy: -0.211
local terms energy: -79.585095
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -12.773
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: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -177.860180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.860180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.860180 (E_RNA)
where:
Base-Base interactions energy: -102.146
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.090
local terms energy: -75.623728
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.527
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: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -213.072821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.072821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072821 (E_RNA)
where:
Base-Base interactions energy: -140.227
where: short stacking energy: -77.708
Base-Backbone interact. energy: -0.045
local terms energy: -72.801340
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -172.569234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.569234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.569234 (E_RNA)
where:
Base-Base interactions energy: -97.019
where: short stacking energy: -59.876
Base-Backbone interact. energy: 1.010
local terms energy: -76.560658
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -142.890023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.890023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.890023 (E_RNA)
where:
Base-Base interactions energy: -82.746
where: short stacking energy: -40.847
Base-Backbone interact. energy: -0.056
local terms energy: -60.087600
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -5.336
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: 7, replica: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -89.327003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.327003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.327003 (E_RNA)
where:
Base-Base interactions energy: -49.893
where: short stacking energy: -38.672
Base-Backbone interact. energy: -1.496
local terms energy: -37.937434
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -6.414
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -83.927292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.927292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.927292 (E_RNA)
where:
Base-Base interactions energy: -30.726
where: short stacking energy: -25.484
Base-Backbone interact. energy: -0.700
local terms energy: -52.501188
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -7.241
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -9.398
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: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -88.514934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.514934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.514934 (E_RNA)
where:
Base-Base interactions energy: -45.954
where: short stacking energy: -41.515
Base-Backbone interact. energy: -0.124
local terms energy: -42.436450
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -74.892396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.892396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.892396 (E_RNA)
where:
Base-Base interactions energy: -28.462
where: short stacking energy: -18.697
Base-Backbone interact. energy: -0.141
local terms energy: -46.289452
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -207.636847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.636847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.636847 (E_RNA)
where:
Base-Base interactions energy: -135.472
where: short stacking energy: -59.450
Base-Backbone interact. energy: -0.319
local terms energy: -71.845439
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -14.639
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: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -184.526236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.526236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.526236 (E_RNA)
where:
Base-Base interactions energy: -113.905
where: short stacking energy: -71.666
Base-Backbone interact. energy: -0.016
local terms energy: -70.604925
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -16.240
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: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -191.644414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.644414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.644414 (E_RNA)
where:
Base-Base interactions energy: -128.772
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.043
local terms energy: -62.829798
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -205.721737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.721737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.721737 (E_RNA)
where:
Base-Base interactions energy: -127.365
where: short stacking energy: -66.566
Base-Backbone interact. energy: -0.135
local terms energy: -78.221259
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -21.197
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: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -169.168496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.168496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.168496 (E_RNA)
where:
Base-Base interactions energy: -109.929
where: short stacking energy: -56.924
Base-Backbone interact. energy: -0.038
local terms energy: -59.201838
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -149.194447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.194447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.194447 (E_RNA)
where:
Base-Base interactions energy: -87.534
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.100
local terms energy: -61.560947
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -144.171174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.171174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.171174 (E_RNA)
where:
Base-Base interactions energy: -78.783
where: short stacking energy: -40.604
Base-Backbone interact. energy: -0.030
local terms energy: -65.358359
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -85.801477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.801477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.801477 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -24.437
Base-Backbone interact. energy: -0.353
local terms energy: -49.110553
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -91.463157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.463157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.463157 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -33.889
Base-Backbone interact. energy: -0.164
local terms energy: -55.696596
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -7.456
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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -84.841619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841619 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -33.197
Base-Backbone interact. energy: 1.677
local terms energy: -47.716007
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -6.494
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: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -210.860432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.860432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.860432 (E_RNA)
where:
Base-Base interactions energy: -141.202
where: short stacking energy: -59.546
Base-Backbone interact. energy: 0.018
local terms energy: -69.676696
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -13.333
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: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -180.968779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.968779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.968779 (E_RNA)
where:
Base-Base interactions energy: -106.506
where: short stacking energy: -56.569
Base-Backbone interact. energy: -0.629
local terms energy: -73.833477
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -200.990078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.990078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.990078 (E_RNA)
where:
Base-Base interactions energy: -130.582
where: short stacking energy: -58.560
Base-Backbone interact. energy: 0.075
local terms energy: -70.483777
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -17.373
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: 464
Temperature: 1.050000
Total energy: -161.218577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.218577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.218577 (E_RNA)
where:
Base-Base interactions energy: -99.492
where: short stacking energy: -57.336
Base-Backbone interact. energy: -0.014
local terms energy: -61.712848
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -7.702
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -174.360422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.360422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.360422 (E_RNA)
where:
Base-Base interactions energy: -126.973
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.180
local terms energy: -47.206905
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -10.592
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: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -162.084354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.084354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.084354 (E_RNA)
where:
Base-Base interactions energy: -100.947
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.121
local terms energy: -61.016850
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -152.604775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.604775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.604775 (E_RNA)
where:
Base-Base interactions energy: -100.088
where: short stacking energy: -42.547
Base-Backbone interact. energy: -0.087
local terms energy: -52.430133
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -7.878
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: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -84.719640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.719640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.719640 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -32.217
Base-Backbone interact. energy: 0.015
local terms energy: -52.516954
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -95.832797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.832797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.832797 (E_RNA)
where:
Base-Base interactions energy: -42.737
where: short stacking energy: -42.737
Base-Backbone interact. energy: -0.004
local terms energy: -53.091457
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -78.407948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.407948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.407948 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -31.534
Base-Backbone interact. energy: -0.148
local terms energy: -45.087181
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/D4-5c38ca14_01
DONE
DONE
DONE
DONE
DONE
DONE